 $DATA
Simple example sample optimization with Hessian output for Toon                 
C1       0
CL         17.0     -0.3813346623     -0.1843157808     -0.0360819235
   MC         6
   L          1
     1         0.0483000000  1.00000000  1.00000000
   D          1
     1         1.5000000000  1.00000000
   D          1
     1         0.3750000000  1.00000000
           
H           1.0      0.7681798935     -1.5516364150     -1.3391469880
   N311       6
   P          1
     1         1.5000000000  1.00000000
   P          1
     1         0.3750000000  1.00000000
           
H           1.0     -1.6972955067      1.1057352996     -1.2545863473
   N311       6
   P          1
     1         1.5000000000  1.00000000
   P          1
     1         0.3750000000  1.00000000
           
H           1.0     -1.6641315984     -1.3980624005      1.2926708150
   N311       6
   P          1
     1         1.5000000000  1.00000000
   P          1
     1         0.3750000000  1.00000000
           
H           1.0      0.8443376364      0.9968189250      1.1469924456
   N311       6
   P          1
     1         1.5000000000  1.00000000
   P          1
     1         0.3750000000  1.00000000
           
F           9.0      1.2409870022     -2.1185222431     -1.8756553512
   N311       6
   L          1
     1         0.1076000000  1.00000000  1.00000000
   D          1
     1         3.5000000000  1.00000000
   D          1
     1         0.8750000000  1.00000000
           
F           9.0     -2.2414601638      1.6411966418     -1.7548179553
   N311       6
   L          1
     1         0.1076000000  1.00000000  1.00000000
   D          1
     1         3.5000000000  1.00000000
   D          1
     1         0.8750000000  1.00000000
           
F           9.0     -2.1931782985     -1.8978396528      1.8435584906
   N311       6
   L          1
     1         0.1076000000  1.00000000  1.00000000
   D          1
     1         3.5000000000  1.00000000
   D          1
     1         0.8750000000  1.00000000
           
F           9.0      1.3783013932      1.5252417033      1.6858137980
   N311       6
   L          1
     1         0.1076000000  1.00000000  1.00000000
   D          1
     1         3.5000000000  1.00000000
   D          1
     1         0.8750000000  1.00000000
           
H           1.0      3.0257505296      2.1417326248      1.4709801068
   N311       6
   P          1
     1         1.5000000000  1.00000000
   P          1
     1         0.3750000000  1.00000000
           
F           9.0      3.8608437748      2.4976512976      1.4402729093
   N311       6
   L          1
     1         0.1076000000  1.00000000  1.00000000
   D          1
     1         3.5000000000  1.00000000
   D          1
     1         0.8750000000  1.00000000
           
 $END      
-------------------- DATA FROM NSERCH=   0 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 CL         17.0  -0.3813346623  -0.1843157808  -0.0360819235
 H           1.0   0.7681798935  -1.5516364150  -1.3391469880
 H           1.0  -1.6972955067   1.1057352996  -1.2545863473
 H           1.0  -1.6641315984  -1.3980624005   1.2926708150
 H           1.0   0.8443376364   0.9968189250   1.1469924456
 F           9.0   1.2409870022  -2.1185222431  -1.8756553512
 F           9.0  -2.2414601638   1.6411966418  -1.7548179553
 F           9.0  -2.1931782985  -1.8978396528   1.8435584906
 F           9.0   1.3783013932   1.5252417033   1.6858137980
 H           1.0   3.0257505296   2.1417326248   1.4709801068
 F           9.0   3.8608437748   2.4976512976   1.4402729093
--- RHF ORBITALS --- GENERATED AT 13:38:08 LT   3-AUG-2010
Simple example sample optimization with Hessian output for Toon                 
E(RHF)=     -959.9675629527, E(NUC)=  273.9207388851,   10 ITERS
 $VEC
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25 20-1.42707629E-03-5.04199451E-01-5.02311056E-01-5.02725570E-01-3.87069049E-03
25 21-3.57591585E-03 5.09535222E-03 1.49377845E+00-2.23153553E+00 4.83537019E-03
25 22-6.60716212E-03 5.92627388E-03 2.74990565E+00-1.36064191E-02 1.91651041E-02
25 23-1.71561417E-02 2.26838846E+00 1.01309332E-01-1.14568979E-01 1.05943512E-01
25 24-9.17229878E-01-1.41840033E-01 1.64596822E-01-1.50747791E-01-1.07441757E+00
25 25-1.07420552E+00-1.07407909E+00 2.50436489E-03-2.50583072E-03 2.22109836E-03
25 26-1.03704093E+00-1.03768254E+00-1.03830714E+00-1.01980649E-02 1.00067797E-02
25 27-9.25519380E-03 2.12960913E+00-3.18138629E+00 7.09879822E-03 7.56907211E-03
25 28-8.80928073E-03 3.91758967E+00-2.01111140E-02-2.17092329E-02 2.53618705E-02
25 29 3.25050355E+00 1.47728122E-01 1.47158810E-01-1.65142092E-01-1.43221003E+00
25 30-2.31165888E-01-2.30173848E-01 2.59027547E-01-1.53148605E+00-1.53118840E+00
25 31-1.53167129E+00-3.46546811E-03 3.66368813E-03 3.43576924E-03-1.48016741E+00
25 32-1.48138806E+00-1.47925418E+00 1.44400841E-02-1.54823622E-02-1.46250804E-02
25 33 4.35894398E-02-6.52145534E-02-2.03326823E-03-1.01244512E-03-2.94440657E-04
25 34 9.36289612E-02 7.32934662E-03 3.53029837E-03 7.96199465E-04-2.37982914E-03
25 35-1.43471607E-02-2.49317714E-03 6.33094882E-03 3.40132995E-01 9.36210784E-03
25 36-3.39469029E-02-6.92598554E-02-3.08472365E-02-3.17198719E-02-3.22603785E-02
25 37 7.29316546E-04 2.07428583E-04-1.70352256E-04-2.75016377E-02-2.45904739E-02
25 38-2.30590446E-02-3.34446804E-03-1.60392092E-03-6.36148554E-04-1.84270314E-02
25 39 8.40576386E-02-4.04662745E-01 3.95390173E-03 1.51849126E-03-3.97650234E-04
25 40 1.74415680E-03 1.45844996E-03 1.15360332E-03-4.46521937E-01 6.67199150E-01
25 41 2.39555965E-03 1.10676252E-03-3.22158308E-05-8.23401290E-01-6.69640320E-03
25 42-3.11079671E-03 8.18886741E-05-6.62290078E-01 3.74646573E-02 1.62885610E-02
25 43-1.42348024E-03 4.31104689E-01-1.15891025E-01-4.97074149E-02 4.39277745E-03
25 44 3.21842137E-01 3.21146951E-01 3.20930780E-01 3.77156741E-04-5.57491666E-05
25 45-1.00252937E-04 3.06769198E-01 3.10825748E-01 3.11845672E-01-2.29888059E-03
25 46 3.07635318E-04 3.17581873E-04
26  1-5.99590964E-04-2.45170731E-04 5.79132378E-03 4.02984777E-02 1.08352409E-01
26  2-6.69863758E-01 9.53899207E-03 1.47358351E-02 1.63713707E-02 1.03878454E-02
26  3 1.60608657E-02 1.78343866E-02-2.50786563E-02-3.92840619E-02-4.39700394E-02
26  4 2.94148359E-02 5.64629074E-02 6.57486791E-02-7.74685241E-02-1.41649853E-01
26  5-1.43943690E-01 1.39105280E-01 6.23193350E-02 4.63858835E-02 4.70832560E-02
26  6 3.69731360E-02 3.85049022E-02 4.05145879E-02-2.09239702E-03-1.82703429E-03
26  7-3.37092053E-03 1.70742976E-01 1.66400721E-01 1.60749233E-01 6.51092097E-03
26  8 4.74479776E-03 1.10216626E-02-5.97078450E-03 3.57534563E-02-3.12814810E-01
26  9 1.84540582E-03-8.81994806E-04-1.24987873E-03-3.23682699E-03 7.11685264E-04
26 10 2.55872666E-03 1.25004580E-04-1.52241148E-02-5.94306330E-02 7.05439769E-04
26 11 1.25936643E-03-1.69894834E-03 6.59499065E-03-1.15016066E-02 1.59873252E-02
26 12-5.84106904E-03 3.01684870E-02-1.82774990E-01-1.10404330E-03-2.91201894E-03
26 13 3.21169365E-03 4.89965601E-03 1.25451073E-02-1.09721680E-02 1.07928280E-01
26 14-4.22808098E-01 1.47950757E+00-2.54867840E-05 2.54041771E-03 5.89077391E-03
26 15-8.17858004E-03-2.04559083E-02-3.65762841E-02 8.07048614E-03-1.21827534E-02
26 16 9.15368103E-04 1.60130602E-03 1.13607536E-03 1.90804626E-02-2.77154751E-03
26 17-5.08883425E-03-3.64161585E-03-1.35012847E-02 1.13341483E-02 8.19232843E-03
26 18 4.44364405E-03 2.15030096E-01-5.54795841E-02 3.33165655E-02 3.42059943E-02
26 19-6.05611967E-03-6.09667554E-03-5.92992659E-03 1.07117469E-04 4.07122706E-05
26 20 1.34276959E-04-4.32781969E-03-4.32221928E-03-4.78808108E-03 3.41563337E-04
26 21 5.32580854E-04-1.01029721E-03 6.39216012E-02-9.62380295E-02 1.33848526E-03
26 22 7.26276842E-04 4.66642657E-04 1.17186339E-01-4.12112115E-03-2.37169028E-03
26 23-1.34839085E-03 1.25105995E-01 2.16286274E-02-3.29828770E-03 1.05595234E-02
26 24 4.09601865E-03-1.32531769E-02-1.45504873E-02-4.79151803E-03-4.72593764E-02
26 25-4.70930736E-02-4.65377382E-02 6.29073092E-04-4.68532333E-05 1.76520574E-04
26 26-4.62813423E-02-4.69007038E-02-4.86590731E-02-2.01125983E-03 3.43468349E-04
26 27-5.37718906E-04 9.12817879E-04-1.38464747E-03 1.50242052E-03 9.92691955E-04
26 28 1.26646672E-03 4.25138322E-03-4.58999814E-03-2.94555152E-03-4.06807088E-03
26 29-4.77060497E-03 1.16822687E-02 4.82169343E-03 1.16722655E-02 1.23329833E-01
26 30 9.12051097E-03 1.34536385E-02-4.38362686E-02-9.24546601E-04-4.32146770E-04
26 31-7.29135831E-04 2.86770187E-04 1.85142005E-04-1.65248631E-04 7.10076747E-04
26 32-8.57450930E-04-7.71446238E-05-1.52849509E-03 3.42722289E-04 1.42081202E-03
26 33 2.70254315E+00-4.06997294E+00 9.45763038E-04-7.45136330E-03-1.42560589E-02
26 34 4.99597428E+00-1.00132129E-02 1.84492926E-02 4.13570846E-02 4.45988681E+00
26 35-2.80170171E-02-9.92500261E-02-1.56105230E-01-2.60924202E+00 4.03442452E-02
26 36 2.46518628E-01 4.18296282E-01-1.99331313E+00-1.98534551E+00-1.98150741E+00
26 37-5.51915025E-03-7.19958019E-04 8.48449063E-04-1.96691588E+00-1.98932583E+00
26 38-2.00000421E+00 1.55772528E-02 1.87792400E-03-2.22566503E-03 3.67621990E-02
26 39-1.80828786E-01 1.65128970E+00 1.27150980E-03 2.58427217E-03 3.70952969E-03
26 40 1.14194549E-01 3.16089624E-02-3.52155954E-02 4.95155206E-01-7.45252659E-01
26 41-5.93122106E-03-2.31158998E-03 5.31785021E-04 8.79866976E-01 2.28687872E-02
26 42 8.73459038E-03-2.43639795E-03 8.57024781E-01-3.94154921E-02-6.68956055E-03
26 43 1.92781121E-02-1.31153397E+00 3.65280786E-01 1.48082292E-01-2.68167832E-02
26 44-3.67109505E-01-3.61007329E-01-3.60108322E-01-2.29013961E-03 1.83835838E-03
26 45 1.18530241E-03-3.68407357E-01-3.85139623E-01-3.86576638E-01 5.04546963E-03
26 46-6.60678804E-03-3.75353200E-03
27  1-1.55479421E+00 1.96407465E+00-1.76660872E+00 8.00983994E-01 1.00303648E+00
27  2 1.33756923E+00-2.48770501E-04-4.49013953E-04-6.49977374E-04-2.62804470E-04
27  3-4.75881816E-04-6.89953261E-04 7.24940215E-04 1.29989703E-03 1.87344980E-03
27  4-9.33681791E-04-2.05426874E-03-3.16619340E-03 2.82121661E-03 5.18945338E-03
27  5 7.80926849E-03 3.94159203E-02-9.92961589E-04-7.91616125E-04-2.68382233E-04
27  6-6.28239099E-01-6.28291129E-01-6.28252710E-01 6.18273436E-06 3.88680923E-05
27  7 5.32466586E-05-5.33097928E-01-5.32912842E-01-5.33033991E-01-1.28913349E-04
27  8-2.25957378E-04-2.27930112E-04-3.84069676E-03-2.78716871E-02-1.71668990E-01
27  9 4.76252128E-04-4.92243046E-04-4.26529895E-04-1.26003704E-02 1.47170203E-02
27 10 1.37408817E-02-3.74440966E-03-2.84774096E-02-1.72598742E-01-4.22603719E-04
27 11 4.28323784E-04-3.12207957E-04 1.40303824E-02-1.39338594E-02 1.25383689E-02
27 12-3.74735175E-03-2.80756010E-02-1.76350832E-01-3.73087012E-04-3.09549000E-04
27 13 4.28627599E-04 1.32348922E-02 1.23052610E-02-1.40566136E-02-3.71898011E-03
27 14-2.92628942E-02-2.22857134E-01-1.03480709E-03-8.73374421E-04-7.44509956E-04
27 15-1.61855540E-02-1.63831139E-02-1.71407370E-02-2.14123494E-03 4.93652393E-03
27 16 3.79495723E-04-4.43528025E-04-4.27431919E-04-8.55002875E-03-1.06965985E-03
27 17 1.24328286E-03 1.19947172E-03 1.17970167E-02-1.22029133E-02 1.48399304E-02
27 18 1.40701962E-02 1.30167173E-01-2.12882713E-02 2.56291845E-02 2.42349075E-02
27 19 3.88411574E-03 3.65443145E-03 3.72047120E-03 6.20311949E-04 5.91328794E-04
27 20-7.34376064E-04 5.42616860E-03 6.36970349E-03 6.09528464E-03-2.64418834E-03
27 21-2.51851135E-03 3.09822403E-03-2.16199148E-03 4.98419602E-03-4.49127677E-04
27 22 4.13533814E-04-4.14910641E-04-8.62259405E-03 1.26438101E-03-1.15454693E-03
27 23 1.16599628E-03 1.15244500E-02 1.41204575E-02-1.40690889E-02 1.31118243E-02
27 24 1.30850102E-01 2.48413744E-02-2.40801659E-02 2.27596606E-02 3.75411803E-03
27 25 3.77733363E-03 3.83418182E-03 6.80505483E-04-6.58224331E-04 6.36774019E-04
27 26 6.19032743E-03 6.08872206E-03 5.84264569E-03-2.92163578E-03 2.80296244E-03
27 27-2.72596201E-03-2.18206814E-03 5.03061991E-03-4.27695305E-04-3.98586237E-04
27 28 4.27777637E-04-8.62532283E-03 1.19384639E-03 1.10910292E-03-1.18875794E-03
27 29 1.04882567E-02 1.36364636E-02 1.29983758E-02-1.42369039E-02 1.33604416E-01
27 30 2.46774862E-02 2.32466922E-02-2.54585557E-02 3.81976107E-03 3.87065022E-03
27 31 3.78278042E-03-6.40563820E-04 6.80598448E-04 6.49851925E-04 6.14783324E-03
27 32 5.92192748E-03 6.30736773E-03 2.72135174E-03-2.91801200E-03-2.78095908E-03
27 33-2.09666799E-03 4.80389197E-03 8.00823166E-04 7.32538531E-04 7.23193650E-04
27 34-5.66854247E-03-2.57293725E-03-2.35363644E-03-2.32573562E-03 7.76177697E-03
27 35-1.37336309E-02-1.37140958E-02-1.38231028E-02 1.60348405E-01-3.66621975E-02
27 36-3.41490135E-02-3.33470212E-02 3.55560249E-03 3.57311905E-03 3.47165399E-03
27 37-4.97869034E-04-4.56278001E-04-5.48141272E-04 7.44006328E-03 7.38414674E-03
27 38 7.68705251E-03 2.88882862E-03 2.82304661E-03 3.03390534E-03 8.16805408E-04
27 39-6.77314650E-03 3.08901804E-02-4.30493990E-04-6.05862690E-04-7.77099577E-04
27 40-1.37834952E-03 1.53078597E-03 4.02692762E-03 1.75979299E-04-4.07420898E-04
27 41 1.54138375E-04 3.54589396E-05-8.51174642E-05-1.34600494E-04-5.22647858E-04
27 42-1.01948228E-04 3.16630573E-04 7.51443638E-03-1.22255550E-03-1.64516642E-03
27 43-2.22392852E-03-2.23815759E-02 6.62627813E-03 3.81525805E-03 1.79281924E-03
27 44-2.85747455E-04-3.53728468E-04-3.10294649E-04-1.15340261E-04-1.85970206E-04
27 45-1.18204590E-04-5.93087716E-04-6.51280621E-04-9.24417685E-04 5.90571727E-04
27 46 6.62478901E-04 3.77358899E-04
 $END
 POPULATION ANALYSIS
CL          17.79579  -0.79579  17.50666  -0.50666
H            0.62511   0.37489   0.94810   0.05190
H            0.62483   0.37517   0.94828   0.05172
H            0.62512   0.37488   0.94809   0.05191
H            0.62549   0.37451   0.96017   0.03983
F            9.41703  -0.41703   9.16083  -0.16083
F            9.41751  -0.41751   9.16136  -0.16136
F            9.41742  -0.41742   9.16146  -0.16146
F            9.41530  -0.41530   9.13501  -0.13501
H            0.64295   0.35705   0.93469   0.06531
F            9.39344  -0.39344   9.13537  -0.13537
 MOMENTS AT POINT    1 X,Y,Z=  0.000000  0.000000  0.000000
 DIPOLE      -0.521513 -0.307925 -0.100514
 $GRAD
E=     -959.9675629527  GMAX=   0.0000338  GRMS=   0.0000154
CL          17.   -1.7159134615E-05    1.5511634923E-05   -1.2324702284E-05
H            1.    1.3942952296E-05   -2.0966824969E-05   -1.9570452434E-05
H            1.   -1.3402506657E-05   -5.1498370083E-06   -9.2004353445E-06
H            1.   -3.1417128916E-06   -2.8473272075E-06    8.7679555182E-06
H            1.   -1.9359240024E-06   -4.6828493766E-06    2.2784019821E-05
F            9.   -1.2644342938E-05    3.3829670141E-05    3.2062141860E-05
F            9.    1.6032844593E-05   -1.9830022829E-05    1.8074940337E-05
F            9.   -5.2366159726E-06   -6.4843390077E-06   -2.3751474124E-05
F            9.   -1.2936080009E-05    1.4984894726E-05   -3.2416825604E-06
H            1.    1.5922784827E-05   -7.1087324164E-06   -6.2709809954E-06
F            9.    2.0557731917E-05    2.7437407639E-06   -7.3293214211E-06
 $END
----- RESULTS FROM SUCCESSFUL RHF      GEOMETRY SEARCH -----
----- COORDS, ORBS, GRADIENT, AND APPROX. HESSIAN -----
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 CL         17.0  -0.3813346623  -0.1843157808  -0.0360819235
 H           1.0   0.7681798935  -1.5516364150  -1.3391469880
 H           1.0  -1.6972955067   1.1057352996  -1.2545863473
 H           1.0  -1.6641315984  -1.3980624005   1.2926708150
 H           1.0   0.8443376364   0.9968189250   1.1469924456
 F           9.0   1.2409870022  -2.1185222431  -1.8756553512
 F           9.0  -2.2414601638   1.6411966418  -1.7548179553
 F           9.0  -2.1931782985  -1.8978396528   1.8435584906
 F           9.0   1.3783013932   1.5252417033   1.6858137980
 H           1.0   3.0257505296   2.1417326248   1.4709801068
 F           9.0   3.8608437748   2.4976512976   1.4402729093
 $GRAD
E=     -959.9675629527  GMAX=   0.0000338  GRMS=   0.0000154
CL          17.   -1.7159134615E-05    1.5511634923E-05   -1.2324702284E-05
H            1.    1.3942952296E-05   -2.0966824969E-05   -1.9570452434E-05
H            1.   -1.3402506657E-05   -5.1498370083E-06   -9.2004353445E-06
H            1.   -3.1417128916E-06   -2.8473272075E-06    8.7679555182E-06
H            1.   -1.9359240024E-06   -4.6828493766E-06    2.2784019821E-05
F            9.   -1.2644342938E-05    3.3829670141E-05    3.2062141860E-05
F            9.    1.6032844593E-05   -1.9830022829E-05    1.8074940337E-05
F            9.   -5.2366159726E-06   -6.4843390077E-06   -2.3751474124E-05
F            9.   -1.2936080009E-05    1.4984894726E-05   -3.2416825604E-06
H            1.    1.5922784827E-05   -7.1087324164E-06   -6.2709809954E-06
F            9.    2.0557731917E-05    2.7437407639E-06   -7.3293214211E-06
 $END
CAUTION, APPROXIMATE HESSIAN!
 $HESS
ENERGY IS     -959.9675629527 E(NUC) IS      273.9207388851
 1  1 3.33503333E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  7 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  1 0.00000000E+00 3.33503333E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 2  7 0.00000000E+00 0.00000000E+00 0.00000000E+00
 3  1 0.00000000E+00 0.00000000E+00 3.33503333E-01 0.00000000E+00 0.00000000E+00
 3  2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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E=     -959.9675629527  GMAX=   0.0000337  GRMS=   0.0000154
CL          17.   -1.7741243640E-05    1.5314677838E-05   -1.2550609115E-05
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 $END
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25  5-9.13393769E-04-7.58898379E-04-9.04186049E-04 9.45777925E-04 2.13172453E-01
25  6 1.91581855E-01 1.87708635E-01 3.68882339E-03 4.18424508E-03 1.16951697E-03
25  7-1.53552429E-02-7.56030261E-03 1.14695805E-03
26  1-1.28252876E-02-7.66440393E-03-1.24828370E-02-1.19208308E-03 1.05785263E-03
26  2 1.16270483E-03 1.15647112E-03-2.25959681E-03 1.06789799E-03 1.15240381E-03
26  3 9.02898062E-04-1.24466970E-03-1.76596714E-01-1.88620845E-01-1.79149261E-01
26  4 8.02131361E-04-7.18466316E-04-8.49822019E-04-7.65942205E-04 1.47145781E-03
26  5-7.17445185E-04-8.38868161E-04-6.16772429E-04 8.58864332E-04 1.91581855E-01
26  6 1.98993729E-01 1.91643651E-01 6.91967462E-03-1.94698037E-03-1.32971851E-03
26  7-9.39363713E-03-5.98871576E-04 1.04066243E-03
27  1-1.24744381E-02-1.20326826E-02-7.30649306E-03-1.10118008E-03 1.11813305E-03
27  2 9.00954340E-04 1.09458398E-03-1.17773009E-03 8.13942196E-04 1.01711590E-03
27  3 9.52439658E-04-2.19711746E-03-1.79495514E-01-1.80311922E-01-1.99380336E-01
27  4 7.33278153E-04-8.16997381E-04-6.11838591E-04-7.95757572E-04 8.01920726E-04
27  5-5.52756104E-04-6.64523198E-04-6.27016869E-04 1.42952999E-03 1.87708635E-01
27  6 1.91643651E-01 2.10631575E-01 6.23314030E-03 9.23041786E-04-7.73730650E-03
27  7-2.25532080E-03-4.72828834E-04 4.00983632E-03
28  1 2.08548730E-03 2.52085242E-03 2.48028681E-03 8.14195337E-04-7.93674713E-04
28  2-7.74397068E-04-6.22184066E-04 4.57487542E-04-6.62090900E-04-5.96848694E-04
28  3-6.52228438E-04 4.93654750E-04-4.72808139E-03-6.64207340E-03-8.19515546E-03
28  4-6.29791539E-04 5.30186305E-04 5.29965228E-04 4.59142207E-04-3.39009588E-04
28  5 5.18762767E-04 4.38835163E-04 5.04031209E-04-3.60424271E-04 3.68882339E-03
28  6 6.91967462E-03 6.23314030E-03 5.55527837E-01 2.30670791E-01-2.02077384E-02
28  7-5.56437423E-01-2.33176027E-01 1.99440004E-02
29  1 1.24462932E-03 5.02522786E-04 9.53121846E-04-2.70865207E-06-2.64724826E-04
29  2-3.69897132E-04-3.77679373E-04 5.02960868E-04-3.76371295E-04-3.56815454E-04
29  3-2.34822252E-04 2.08905048E-04-2.71665186E-03-2.10831461E-03-2.16317251E-03
29  4-9.60932948E-06 2.14636215E-04 3.22842458E-04 2.38775215E-04-3.79548949E-04
29  5 2.55200483E-04 2.84221294E-04 1.73252866E-04-1.57650621E-04 4.18424508E-03
29  6-1.94698037E-03 9.23041786E-04 2.30670791E-01 1.12549718E-01-8.03263999E-03
29  7-2.33159185E-01-1.09008694E-01 8.43661752E-03
30  1 1.04689142E-04-1.02571567E-04-8.24938193E-04-2.51551238E-04-1.20610709E-04
30  2 9.34797291E-05-1.29066212E-04-9.91778231E-05 7.44220322E-05-1.14761976E-04
30  3-1.13956031E-04 2.52357071E-04-9.18324195E-04 1.07269985E-03 3.01485565E-03
30  4 1.70100910E-04 1.50086238E-04-4.95577167E-05 1.30242893E-04 5.93182504E-05
30  5-5.46413480E-05 6.02626798E-05 6.12621419E-05-1.89606219E-04 1.16951697E-03
30  6-1.32971851E-03-7.73730650E-03-2.02077384E-02-8.03263999E-03 1.58405323E-02
30  7 1.99866239E-02 8.45530601E-03-1.04196053E-02
31  1-1.21842313E-03-1.44152269E-03-1.33270949E-03-4.35553929E-04 5.06659313E-04
31  2 4.68842321E-04 3.84606867E-04-2.35059218E-04 3.83643190E-04 3.71284906E-04
31  3 4.03864082E-04-3.05516034E-04 2.39355924E-03 3.70420685E-03 4.65603153E-03
31  4 3.50157261E-04-3.55932490E-04-3.32422060E-04-2.96634897E-04 1.70098514E-04
31  5-3.08625641E-04-2.76005110E-04-3.15707512E-04 2.21066045E-04-1.53552429E-02
31  6-9.39363713E-03-2.25532080E-03-5.56437423E-01-2.33159185E-01 1.99866239E-02
31  7 5.70519686E-01 2.40116203E-01-2.11816147E-02
32  1-7.94501390E-04-2.42119324E-04-5.37202755E-04 9.17499650E-05 1.30571522E-04
32  2 2.02210231E-04 2.59105734E-04-3.34464258E-04 2.46615099E-04 2.34396753E-04
32  3 1.37047357E-04-1.31219856E-04 1.26648629E-03 1.09492661E-03 1.51223949E-03
32  4-7.80608864E-05-1.26840865E-04-2.02490159E-04-1.66720249E-04 2.59289636E-04
32  5-1.66485870E-04-1.92339387E-04-9.83142681E-05 9.81682442E-05-7.56030261E-03
32  6-5.98871576E-04-4.72828834E-04-2.33176027E-01-1.09008694E-01 8.45530601E-03
32  7 2.40116203E-01 1.08787462E-01-9.00430980E-03
33  1-1.27201108E-04-3.46002332E-07 4.88657656E-04 1.92342306E-04 7.79909365E-05
33  2-9.90718263E-05 9.30141947E-05 6.75176682E-05-6.62413304E-05 9.36111626E-05
33  3 9.29030485E-05-1.90000511E-04 1.37402948E-04-4.97474678E-04-1.32833584E-03
33  4-1.46252906E-04-1.17533668E-04 6.04214818E-05-1.01078691E-04-4.31100801E-05
33  5 5.17936587E-05-5.11772057E-05-5.29148806E-05 1.47172243E-04 1.14695805E-03
33  6 1.04066243E-03 4.00983632E-03 1.99440004E-02 8.43661752E-03-1.04196053E-02
33  7-2.11816147E-02-9.00430980E-03 7.34538698E-03
 $END
 $DIPDR
 -4.53464238E+00-1.56375634E-01-1.45016066E-01
 -1.84903001E-01-4.52373812E+00-1.57992175E-01
 -2.03228354E-01-1.82766071E-01-4.47165295E+00
  2.50056976E+00-1.05992150E+00-1.01026898E+00
 -1.02566546E+00 2.92187349E+00 1.20837566E+00
 -9.80318141E-01 1.21240607E+00 2.79250451E+00
  2.84147105E+00-1.12727350E+00 1.09434318E+00
 -1.16161946E+00 2.74653234E+00-1.07322226E+00
  1.10664865E+00-1.05046656E+00 2.65418596E+00
  2.78022164E+00 1.06855850E+00-1.14008896E+00
  1.07627015E+00 2.65444973E+00-1.08023880E+00
 -1.16661315E+00-1.10290250E+00 2.81651330E+00
  3.25718984E+00 1.57882291E+00 1.53156657E+00
  1.68810900E+00 3.11048209E+00 1.45385534E+00
  1.73285846E+00 1.54546776E+00 3.02448189E+00
 -2.64492374E+00 6.87855068E-01 6.53633616E-01
  6.65287635E-01-2.92310340E+00-7.87787205E-01
  6.33274830E-01-7.89251238E-01-2.83672316E+00
 -2.87223053E+00 7.33134346E-01-7.13074414E-01
  7.58179280E-01-2.81099303E+00 6.98288258E-01
 -7.21303736E-01 6.79948742E-01-2.74759854E+00
 -2.83174467E+00-6.95715083E-01 7.40624991E-01
 -7.01806898E-01-2.74978801E+00 7.01762551E-01
  7.61450400E-01 7.18981975E-01-2.85785991E+00
 -3.97991799E+00-1.48130189E+00-1.08135681E+00
 -1.48184918E+00-3.15162063E+00-9.84590888E-01
 -1.07668401E+00-9.84835120E-01-2.90586143E+00
  3.82583129E+00 9.08747492E-01 1.77387569E-01
  7.60020730E-01 2.37103761E+00 6.43062872E-02
 -9.92355119E-02-5.69884326E-02 1.97076183E+00
 -3.14505793E+00-4.56530787E-01-1.07755116E-01
 -3.92018540E-01-2.44836646E+00-4.27577241E-02
  1.31639391E-02 1.04145194E-02-2.24198332E+00
 $END
----- START OF NORMAL MODES FOR -MOLPLT- PROGRAM -----
ATOMIC MASSES
    34.96885     1.00782     1.00782     1.00782     1.00782
    18.99840    18.99840    18.99840    18.99840     1.00782
    18.99840
MODE    1   FREQUENCY=   2.35182 (CM**-1)
  2.276422606E-03 -5.810753260E-03  3.668964111E-03
  1.576653008E-02 -6.612878114E-02  7.891462298E-02
  4.548182732E-02 -3.245984063E-02 -7.125679633E-02
 -4.215695948E-02  5.566545680E-02  1.692063560E-02
 -7.868759398E-03  1.766301380E-02 -9.273475512E-03
  2.143506076E-02 -9.103858534E-02  1.102248621E-01
  6.320363116E-02 -4.345913110E-02 -1.023022668E-01
 -6.052508072E-02  8.109862196E-02  2.235542665E-02
 -1.231613588E-02  2.821792597E-02 -1.521557076E-02
 -1.432616940E-02  3.227399921E-02 -1.901282713E-02
 -1.580300421E-02  3.551354197E-02 -2.165402374E-02
MODE    2   FREQUENCY=   0.08127 (CM**-1)
  8.605927233E-02 -9.908284978E-05 -5.575374798E-05
  8.602407787E-02 -1.142308773E-04 -7.103415690E-05
  8.601243152E-02 -1.260184906E-04 -3.352468355E-05
  8.611144908E-02 -8.466232555E-05  7.568999179E-06
  8.609253971E-02 -7.323207760E-05 -1.158689994E-04
  8.600970904E-02 -1.203876604E-04 -7.718768608E-05
  8.599327770E-02 -1.370119563E-04 -2.446039108E-05
  8.613319216E-02 -7.876136209E-05  3.380692383E-05
  8.610772823E-02 -6.155228045E-05 -1.423843656E-04
  8.610057151E-02 -6.321103332E-05 -2.024602608E-04
  8.609903310E-02 -6.231088385E-05 -2.337765022E-04
MODE    3   FREQUENCY=   0.08311 (CM**-1)
  1.105945014E-04  8.603368967E-02 -2.687462005E-04
  1.722761904E-04  8.608147669E-02 -2.643878123E-04
  2.286326949E-05  8.594234868E-02 -2.708642636E-04
  1.933238318E-04  8.598269109E-02 -2.356646026E-04
  5.637105384E-05  8.612240585E-02 -3.009940731E-04
  1.979644379E-04  8.610133289E-02 -2.627285225E-04
 -1.336895596E-05  8.590474830E-02 -2.716984909E-04
  2.272832203E-04  8.596188118E-02 -2.219280580E-04
  3.196449442E-05  8.616185227E-02 -3.155018014E-04
  7.696595387E-06  8.622278567E-02 -3.269026212E-04
 -6.819731154E-06  8.625623294E-02 -3.340157082E-04
MODE    4   FREQUENCY=   0.08451 (CM**-1)
  7.219724618E-05  3.018211580E-04  8.604580212E-02
  3.819947039E-05  2.684343294E-04  8.605110661E-02
  1.762090133E-04  4.032549240E-04  8.604098937E-02
 -3.039229866E-05  3.377818266E-04  8.597969076E-02
  1.044258232E-04  2.002607765E-04  8.611400819E-02
  2.437639980E-05  2.544992527E-04  8.605363428E-02
  2.190212378E-04  4.451164297E-04  8.603923771E-02
 -7.253692281E-05  3.525497189E-04  8.595261421E-02
  1.191583786E-04  1.540953956E-04  8.614466698E-02
  1.230171025E-04  1.498334178E-04  8.616217253E-02
  1.268483286E-04  1.418616860E-04  8.617387281E-02
MODE    5   FREQUENCY=   0.61061 (CM**-1)
  8.701592816E-03 -1.668190676E-02  6.244585939E-03
  4.239597997E-02  8.170858817E-03  9.821039425E-03
 -4.641455513E-02 -7.507361639E-02  3.940869187E-03
  6.118648018E-02 -4.457045342E-02  3.142271245E-02
 -2.174863735E-02  3.966785007E-02 -1.847113098E-02
  5.631797930E-02  1.845602635E-02  1.122782224E-02
 -6.920642019E-02 -9.917089537E-02  2.935742985E-03
  8.278867337E-02 -5.599298521E-02  4.180466095E-02
 -3.552385395E-02  6.491928696E-02 -2.958400796E-02
 -4.432001147E-02  8.707363774E-02 -3.336707914E-02
 -5.022297332E-02  1.006516780E-01 -3.651119672E-02
MODE    6   FREQUENCY=   0.98839 (CM**-1)
  1.022269107E-02 -3.944773582E-03 -2.018036924E-02
  6.152430050E-02  2.567064494E-02 -6.010226623E-03
  3.129296120E-02 -1.045463959E-03 -3.986885848E-02
 -1.474411702E-02 -3.474140590E-02 -7.238698253E-02
 -3.423403096E-02 -7.495748721E-03  2.941082969E-02
  8.279777874E-02  3.790709326E-02 -1.926230397E-04
  3.987900281E-02  9.395301728E-05 -4.798840810E-02
 -2.515531177E-02 -4.747914916E-02 -9.394124375E-02
 -5.427491740E-02 -9.437314389E-03  5.117559242E-02
 -5.694752536E-02  1.507018675E-02  1.011295461E-01
 -6.074704098E-02  2.623283637E-02  1.271629538E-01
MODE    7   FREQUENCY=   4.30546 (CM**-1)
  6.159948171E-03 -1.762803975E-02  1.103860720E-02
 -7.830552176E-03 -1.801728776E-02 -5.494431116E-04
  3.152850391E-02  2.725224947E-02  3.098356184E-02
 -1.708269818E-02 -2.250395764E-02 -1.577189455E-02
  3.200098269E-02 -7.319622704E-02  3.966749515E-02
 -1.284291508E-02 -1.844978422E-02 -4.541410022E-03
  4.156381424E-02  4.539409184E-02  3.952078775E-02
 -2.651483883E-02 -2.478435525E-02 -2.689319181E-02
  4.524501834E-02 -1.006490109E-01  5.347320308E-02
 -2.737517195E-02  6.064946472E-02 -4.035481831E-02
 -5.943283812E-02  1.322266238E-01 -8.269292518E-02
MODE    8   FREQUENCY=  17.83635 (CM**-1)
 -2.717658687E-02  1.061082601E-02  2.849258958E-02
  6.255195637E-02  4.925819412E-02  6.827392267E-02
 -2.422519567E-02  1.047270507E-02  2.483820965E-02
 -5.214589330E-02 -2.911567057E-02 -3.113840399E-02
 -6.920098129E-03  9.165632471E-03  7.852067340E-03
  1.045507414E-01  6.602037903E-02  8.756467256E-02
 -2.447284611E-02  1.054647506E-02  2.520055965E-02
 -6.495429305E-02 -4.646887996E-02 -5.920869719E-02
  8.564711469E-03  8.545001501E-03 -6.819503792E-03
  1.865089035E-02 -3.731494171E-02 -6.764237491E-02
  2.643888936E-02 -5.830236108E-02 -9.928959179E-02
MODE    9   FREQUENCY=  21.85191 (CM**-1)
 -4.507083823E-03 -6.651740966E-03  1.616858673E-02
  2.131742896E-02  6.935922002E-02 -3.968287363E-02
 -1.462852596E-02 -6.376000761E-02 -3.397537575E-02
 -3.294362970E-02  5.244747459E-02  4.282732671E-02
  2.221405128E-02 -5.143219172E-02  3.330139112E-02
  3.508155010E-02  1.058667257E-01 -6.617255043E-02
 -2.134493764E-02 -9.364186379E-02 -5.860433620E-02
 -4.600860542E-02  8.194703031E-02  5.705902954E-02
  3.665777901E-02 -7.684115421E-02  4.389920068E-02
  1.327049770E-02 -2.586105108E-02  8.418494941E-03
  3.419786621E-03 -4.068270038E-03 -6.517058046E-03
MODE   10   FREQUENCY=  22.81839 (CM**-1)
 -3.981930121E-02 -6.353988542E-03  4.520127161E-02
 -3.660991818E-02  4.058368406E-02 -1.626818252E-04
  6.969506154E-02  1.952890655E-02 -4.483270280E-02
  1.602085305E-02 -5.700620769E-02  5.411502498E-02
 -3.606052028E-02  1.379635400E-02  1.986866471E-02
 -3.745960506E-02  6.041893030E-02 -2.185770192E-02
  1.204228625E-01  3.266386994E-02 -8.598754863E-02
  4.316084857E-02 -7.993964180E-02  5.936772238E-02
 -3.346039631E-02  2.446453280E-02  6.883318354E-03
 -2.487020533E-02 -1.043866704E-02 -2.455657179E-02
 -1.874945565E-02 -2.625546045E-02 -4.182854973E-02
MODE   11   FREQUENCY=  24.97517 (CM**-1)
 -3.949455183E-02  6.101341063E-02 -4.514796671E-02
 -5.679571483E-03  9.577143175E-03  4.080966866E-02
 -5.159963642E-02  3.948330144E-02 -5.950803132E-02
  5.954591986E-02  8.916378560E-03  9.004760729E-04
  2.468865968E-03 -4.179600318E-02  1.314216553E-02
  1.103063657E-02 -1.311378676E-02  7.945429462E-02
 -5.714661210E-02  2.693484261E-02 -6.680259654E-02
  1.046957754E-01 -1.371028077E-02  2.378093976E-02
  2.383945744E-02 -9.320624055E-02  4.242185698E-02
 -4.373306112E-04 -3.938133843E-02  1.466314855E-02
 -9.957494045E-03 -1.796995076E-02  3.705984768E-03
MODE   12   FREQUENCY=  25.36142 (CM**-1)
 -1.391736104E-02 -5.261393684E-02 -4.768805808E-02
  6.368072163E-02 -1.399919133E-02 -2.204427803E-02
  1.270348607E-02  3.978890054E-02  2.199832404E-02
  7.486150020E-03  2.688258131E-02  4.511971232E-02
 -4.487453854E-02 -3.353192024E-02 -3.860848109E-02
  9.906322171E-02  4.123102291E-03 -9.976979107E-03
  2.556171142E-02  8.296395256E-02  5.419447859E-02
  1.785825737E-02  6.356463151E-02  8.839033911E-02
 -5.914205780E-02 -2.356034677E-02 -3.408836792E-02
 -5.769311454E-02 -2.823436264E-02 -1.705284297E-02
 -5.673576613E-02 -2.977249614E-02 -1.018604875E-02
MODE   13   FREQUENCY=  39.36456 (CM**-1)
  6.278989523E-02  2.743476794E-02 -2.032618353E-03
  1.565896490E-02 -7.298847218E-03 -1.481890986E-02
  2.054681163E-02 -7.615878993E-03  8.104568845E-03
  4.081191813E-02  3.472481509E-02 -2.420976701E-02
 -3.975112308E-02  2.979259717E-02  9.135291633E-02
 -1.321762777E-02 -2.458376725E-02 -2.168644205E-02
  9.695288504E-04 -2.355027960E-02  1.240134263E-02
  3.175958782E-02  3.893063938E-02 -2.899260445E-02
 -7.262598947E-02  3.104662369E-02  1.232020168E-01
 -7.346222592E-02 -3.673872246E-02 -5.141201722E-03
 -6.053504319E-02 -7.302171673E-02 -8.411967771E-02
MODE   14   FREQUENCY= 135.29522 (CM**-1)
 -1.252881288E-02 -9.120464688E-03 -7.997649473E-03
  5.516701737E-02 -7.204886577E-02 -6.804578835E-02
 -6.278289092E-02  5.437621503E-02 -5.626207636E-02
 -5.592459021E-02 -5.167759601E-02  4.968625491E-02
 -9.617355078E-04  4.540624440E-02  8.461553286E-02
  5.861587713E-02 -6.975001585E-02 -6.650697498E-02
 -5.907548705E-02  5.898336632E-02 -5.478160887E-02
 -5.182680590E-02 -4.905433708E-02  5.572080488E-02
 -9.725453379E-03  4.450487614E-02  9.091689400E-02
  7.890597935E-02  4.850881918E-02  2.477154958E-02
  8.430855159E-02  3.080027809E-02 -1.247283640E-02
MODE   15   FREQUENCY= 158.53222 (CM**-1)
 -6.584484514E-02 -5.222848179E-02 -4.400155712E-02
 -5.561476554E-02  1.876544777E-02  2.039174776E-02
  2.473463847E-02 -6.807941254E-02  2.972288229E-02
  3.269311739E-02  3.492870647E-02 -7.722356302E-02
 -4.080362659E-02  1.761346556E-02  6.595554535E-02
 -2.572653204E-02  3.245300721E-02  3.080970861E-02
  4.245587946E-02 -3.918783376E-02  3.908840411E-02
  4.944061924E-02  4.665119336E-02 -4.792946345E-02
 -5.027631465E-02  1.498864983E-02  6.941919018E-02
  9.884489812E-02  5.231427593E-02  1.566125211E-02
  1.021263094E-01  3.828109575E-02 -1.328951708E-02
MODE   16   FREQUENCY= 169.59248 (CM**-1)
 -1.808559647E-02 -5.766530521E-02  9.269020469E-02
  1.725013852E-02 -5.231135600E-02  6.763241348E-03
 -8.414887996E-02  5.224953007E-02 -3.586655862E-02
  9.324348864E-02  7.267731413E-02 -6.585214122E-02
 -2.085975759E-03 -2.710666817E-02  2.239527719E-02
  1.924353415E-02 -2.103140942E-02 -2.298746746E-02
 -5.702886640E-02  5.789206659E-02 -5.493408888E-02
  7.461879626E-02  7.139370348E-02 -7.971950142E-02
  6.780778112E-03 -7.296544997E-04 -1.146009459E-02
 -9.272041896E-03 -8.389115951E-03 -2.579750502E-03
 -1.112064925E-02 -3.354117328E-03  2.479997327E-03
MODE   17   FREQUENCY= 171.06640 (CM**-1)
  7.967941785E-02 -7.268787881E-02 -2.999429043E-02
 -5.783605874E-02  8.089117356E-02  9.200374448E-02
 -4.517358796E-02  4.471066356E-02 -8.147021167E-02
  5.589698719E-03 -5.153179715E-02  1.310420506E-02
  2.482508833E-02 -2.242407259E-02  3.737943244E-03
 -6.919117172E-02  8.110902916E-02  7.627901913E-02
 -5.746506838E-02  5.684332332E-02 -5.094579310E-02
 -1.987326663E-02 -1.571414966E-02  1.993141513E-02
 -1.017679504E-02  4.194676154E-03  1.136453816E-02
  1.329111671E-02  5.138685413E-03  4.799939087E-03
  1.319299976E-02  4.345361026E-03 -3.128015599E-03
MODE   18   FREQUENCY= 251.85386 (CM**-1)
 -3.861817084E-02 -3.772000738E-02 -3.774071543E-02
 -2.820951835E-02 -5.202064997E-03 -6.571910707E-03
 -7.806475421E-03 -2.678440597E-02 -9.395137030E-03
 -8.773105748E-03 -9.419255660E-03 -2.557942417E-02
  1.435639578E-01  9.769221900E-02  6.265313322E-02
 -2.189992537E-03  4.749196452E-03  4.535935207E-03
  3.598300092E-03 -2.074602343E-03  3.338416562E-03
  2.993990083E-03  2.842732429E-03 -1.985349163E-03
  1.489426984E-01  9.521505264E-02  5.378056558E-02
 -8.452884312E-02 -2.728557648E-02  1.925648777E-02
 -8.301941534E-02 -3.284267337E-02  7.655447990E-03
MODE   19   FREQUENCY= 611.97412 (CM**-1)
 -2.693809078E-04 -1.503812932E-05  1.381404433E-04
  7.740660797E-03  3.995439542E-01 -4.154143226E-01
 -3.773579727E-01  4.962460049E-03  4.159228307E-01
  3.845059419E-01 -4.092431619E-01 -2.019274710E-03
  1.114893998E-02 -1.553141747E-03 -1.055718285E-02
 -2.761757691E-04 -1.495880524E-02  1.558345238E-02
  1.415948701E-02 -1.839934017E-04 -1.562800869E-02
 -1.443092107E-02  1.537852997E-02  5.176530417E-05
 -6.819188531E-06 -7.699452864E-04  6.880930635E-06
 -2.096453379E-02  5.067911313E-02  1.796223769E-02
  7.811478709E-04 -1.792861346E-03 -5.810358293E-04
MODE   20   FREQUENCY= 612.97521 (CM**-1)
 -7.062190710E-04  1.198089681E-03 -7.338722367E-04
  8.456109347E-02 -3.287219825E-02  1.092544936E-01
 -5.609520952E-02 -1.143604137E-01 -6.129469232E-02
  5.059468875E-02 -6.387859934E-03  4.284136219E-02
  1.164539759E-02 -2.136887692E-02  8.664802333E-03
 -3.002928832E-03  1.283231953E-03 -3.845720074E-03
  1.891403544E-03  4.070673314E-03  2.212914221E-03
 -1.803978998E-03  2.311979691E-04 -1.536628407E-03
  5.329574477E-03 -1.193027452E-02  5.925631777E-03
 -3.541124206E-01  7.963593594E-01 -3.995328051E-01
  1.285902714E-02 -2.882242641E-02  1.451249915E-02
MODE   21   FREQUENCY= 615.72024 (CM**-1)
 -2.265875673E-03 -7.989073299E-04  5.722835059E-04
 -1.375186523E-01 -8.697657171E-02 -2.897992478E-02
 -1.728015984E-02  1.116939468E-03  2.021986317E-02
  7.231761060E-02  1.412888716E-01  1.973267677E-01
  2.645995503E-01 -8.879770534E-03 -2.745246053E-01
  5.276766264E-03  3.535174539E-03  1.216642491E-03
  6.919710966E-04 -7.371298004E-05 -8.537812916E-04
 -2.755266137E-03 -5.369167948E-03 -7.445330613E-03
 -6.981290805E-03 -5.341405501E-03 -3.401061853E-03
 -1.164532963E-01  3.386327168E-01  7.778062160E-01
  4.455071835E-03 -1.171349716E-02 -2.727096310E-02
MODE   22   FREQUENCY= 629.56320 (CM**-1)
  2.048527952E-03 -4.110501719E-03  1.976765032E-03
 -3.107337649E-01  1.687322364E-02 -2.913777000E-01
  3.143029001E-01  5.680454997E-01  2.656381702E-01
 -3.089052618E-01  2.703487214E-02 -2.723569510E-01
  1.229314729E-01 -2.427858247E-01  1.157518330E-01
  1.119242524E-02 -4.360402644E-04  1.116469540E-02
 -1.217353846E-02 -2.037319944E-02 -1.031743329E-02
  1.178899989E-02 -9.000880289E-04  9.766408792E-03
 -3.651984491E-03  6.871826848E-03 -3.552656046E-03
 -7.244294431E-02  1.648528070E-01 -5.804868293E-02
  2.592654885E-03 -5.925257154E-03  2.052870372E-03
MODE   23   FREQUENCY= 633.83459 (CM**-1)
 -6.320430074E-03 -5.066718961E-04  5.592162702E-03
  5.457308393E-01  3.486859828E-01  1.119843094E-01
  2.136208464E-01  1.803889482E-02 -2.129965752E-01
 -1.753356251E-01 -3.110813386E-01 -4.513022568E-01
 -3.125917826E-02 -1.307003719E-02  3.496301433E-02
 -1.940295505E-02 -1.338450434E-02 -4.520834811E-03
 -8.006770475E-03 -6.977881385E-04  8.026266767E-03
  6.971225218E-03  1.210414239E-02  1.582857531E-02
  3.705237484E-03 -1.638681725E-03 -8.348757215E-03
 -3.685590975E-02  1.122932299E-01  3.057213383E-01
  9.993603970E-04 -3.665921653E-03 -1.005178291E-02
MODE   24   FREQUENCY= 673.17860 (CM**-1)
 -1.479758681E-04  4.368247436E-03 -9.541984896E-03
  1.572438748E-01 -4.131792950E-01  5.753198367E-01
 -2.308324781E-01  2.321649994E-01  5.000905514E-01
  4.678469137E-02 -2.153694401E-01 -1.500223991E-01
  1.866560345E-02 -5.481500613E-02  3.411723123E-02
 -5.795013501E-03  1.520700027E-02 -2.049460242E-02
  9.110333497E-03 -8.874997841E-03 -1.736502430E-02
 -2.525070572E-03  7.024073389E-03  5.861057864E-03
  4.305415810E-06  2.776423049E-03 -2.601702019E-03
  9.126493419E-03 -1.545564558E-02  7.098668588E-02
 -5.746178617E-04  5.822181969E-04 -2.501939267E-03
MODE   25   FREQUENCY= 675.85617 (CM**-1)
  1.651970519E-03 -1.062427739E-02 -5.689384051E-03
  4.101082028E-01  3.383369977E-01  4.431695958E-03
 -2.358396388E-01  8.503500018E-02  3.473644962E-01
 -3.411366612E-01  5.817422080E-01  2.000756110E-01
 -2.652617086E-02  3.473739245E-02 -7.061679030E-03
 -1.538263913E-02 -1.117275075E-02  8.194218231E-04
  8.023497577E-03 -2.895547408E-03 -1.295967384E-02
  1.237062466E-02 -2.092030614E-02 -7.377464282E-03
  2.330043382E-03 -5.281678011E-04  1.413644416E-03
 -4.476947843E-05 -1.522142490E-03 -2.084729356E-02
 -1.206584164E-04 -9.090982108E-06  7.809857787E-04
MODE   26   FREQUENCY= 677.20724 (CM**-1)
 -1.238058924E-02 -5.815586259E-03 -6.102918943E-03
  2.719767182E-01  1.147940678E-01  1.184003193E-01
  4.602092739E-01  4.435605888E-01 -2.542826747E-02
  4.827091766E-01 -3.947617098E-03  4.596451178E-01
  1.843062285E-03 -1.105765878E-02  1.126702227E-02
 -1.002294784E-02 -4.218264386E-03 -4.340398955E-03
 -1.601107199E-02 -1.654366290E-02  1.450089108E-03
 -1.687718145E-02  6.327374920E-04 -1.708718920E-02
  1.010497464E-03  2.611875366E-03  2.563242520E-03
  1.098427951E-02 -3.116290686E-02 -6.754817628E-02
 -4.393428615E-04  1.051233732E-03  2.317912315E-03
MODE   27   FREQUENCY= 743.06532 (CM**-1)
  4.198638288E-03 -9.347975279E-03  4.873905960E-03
 -8.659905020E-02 -3.296015123E-02 -4.159672726E-02
  1.022096647E-01  1.961549483E-01  9.888850261E-02
 -7.198417824E-02 -4.329292592E-02 -1.083793939E-01
 -3.383695499E-01  7.647596817E-01 -4.147355399E-01
  2.593247772E-03  1.337368165E-03  2.017167551E-03
 -4.324360069E-03 -5.862778870E-03 -4.104325411E-03
  3.056745661E-03  1.679046860E-03  3.247229633E-03
  1.222532995E-02 -2.764514539E-02  1.498758976E-02
 -2.593559271E-02  5.820357407E-02 -3.063283377E-02
  1.037052677E-03 -2.319394188E-03  1.217237167E-03
MODE   28   FREQUENCY= 805.64646 (CM**-1)
 -6.572106986E-03  7.695705837E-04  6.478814614E-03
  1.034483274E-01  5.028865938E-02  3.864735533E-02
  1.179591816E-02 -6.912751811E-03 -2.028578165E-02
 -4.282649964E-02 -5.936640658E-02 -9.457781429E-02
  6.618583837E-01 -3.916584983E-02 -6.094539331E-01
 -2.904089184E-03 -2.450712319E-03 -1.835693853E-03
 -5.451113677E-04  2.017930155E-04  8.783930169E-04
  1.840072312E-03  2.536815889E-03  2.613317225E-03
 -2.869161806E-02  3.735538113E-03  3.028009281E-02
  4.860510339E-02 -1.416546233E-01 -3.010051267E-01
  8.673547469E-04  5.000494183E-03  8.479860533E-03
MODE   29   FREQUENCY=3863.10367 (CM**-1)
  4.276110409E-04  4.092700654E-04  4.061582418E-04
 -2.749885669E-02  3.588466438E-02  3.397172165E-02
  3.493750934E-02 -3.197045864E-02  3.211075551E-02
  3.398248761E-02  3.210526584E-02 -3.299678581E-02
  5.544586298E-01  5.484715116E-01  5.590165503E-01
  1.589372240E-03 -2.005165280E-03 -1.897895521E-03
 -1.951444431E-03  1.833923961E-03 -1.793353509E-03
 -1.898500328E-03 -1.793413963E-03  1.889601339E-03
 -2.967641528E-02 -2.963427112E-02 -3.043692282E-02
  9.095014360E-02  4.031386340E-02 -5.298248016E-04
 -5.284960010E-03 -2.298963816E-03  1.093157053E-04
MODE   30   FREQUENCY=4123.04474 (CM**-1)
 -2.934699590E-05 -2.621348056E-04  2.988375546E-04
 -3.629265168E-02  4.249552194E-02  4.212384346E-02
  3.790409520E-01 -3.741549282E-01  3.494960047E-01
 -4.213947011E-01 -3.988708817E-01  4.399378702E-01
  5.195683696E-04 -4.579763235E-04  1.820181096E-03
  1.952686058E-03 -2.302623857E-03 -2.250486120E-03
 -2.039772731E-02  2.011148333E-02 -1.879239144E-02
  2.267264751E-02  2.144900496E-02 -2.364626817E-02
 -2.542949640E-05  6.152306253E-06 -7.401847777E-05
  2.057392258E-03  6.340215113E-04  2.996128559E-04
 -1.128369331E-04 -3.777521460E-05 -1.171469937E-05
MODE   31   FREQUENCY=4126.02224 (CM**-1)
 -3.139743313E-04  1.974174344E-04  1.389828296E-04
 -3.944135916E-01  4.721790184E-01  4.465862280E-01
 -2.913811174E-01  2.864978068E-01 -2.662907858E-01
 -2.057057310E-01 -1.925922073E-01  2.136614388E-01
  1.471394263E-03  3.694304011E-03  3.451649823E-03
  2.120009634E-02 -2.539454049E-02 -2.402557350E-02
  1.565357351E-02 -1.539031803E-02  1.433229657E-02
  1.104587448E-02  1.036871089E-02 -1.147803709E-02
 -9.777944048E-05 -1.722995949E-04 -1.686531214E-04
  3.523192806E-03  2.020332139E-03  1.574441548E-04
 -1.965932050E-04 -1.076667462E-04 -5.883411656E-06
MODE   32   FREQUENCY=4166.49248 (CM**-1)
  1.075309224E-04  1.141227520E-04  1.100869189E-04
 -3.080500183E-01  3.699207643E-01  3.501041194E-01
  3.232228142E-01 -3.175670590E-01  2.972011540E-01
  3.080524535E-01  2.910651135E-01 -3.202788162E-01
 -5.941159889E-02 -5.860578582E-02 -5.971154865E-02
  1.645962614E-02 -1.976039492E-02 -1.870131255E-02
 -1.725824615E-02  1.695930014E-02 -1.586620527E-02
 -1.644626678E-02 -1.553806097E-02  1.710223189E-02
  3.082732072E-03  3.039903606E-03  3.093012099E-03
  2.853070354E-02  1.191718345E-02 -1.545553672E-03
 -1.544019256E-03 -6.517157372E-04  7.114376424E-05
MODE   33   FREQUENCY=4256.09742 (CM**-1)
  6.188931954E-05  6.729404318E-05  7.417864638E-05
  1.455017918E-02 -1.759430255E-02 -1.676661483E-02
 -1.361314336E-02  1.304967678E-02 -1.267432828E-02
 -1.169877572E-02 -1.112002456E-02  1.167689159E-02
 -5.319300376E-02 -5.512935603E-02 -5.828843577E-02
 -7.747143082E-04  9.273497916E-04  8.839866664E-04
  7.179407402E-04 -6.950716997E-04  6.688117526E-04
  6.174124500E-04  5.870166180E-04 -6.228731536E-04
  2.875426325E-03  2.893098724E-03  2.990297057E-03
  8.871549777E-01  3.779162133E-01 -3.303917591E-02
 -4.721901409E-02 -2.012843974E-02  1.730325824E-03
----- END OF NORMAL MODES FOR -MOLPLT- PROGRAM -----
