%chk=Int3b-cis.chk
%nprocshared=8
%mem=30GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int3b-cis

-1 1
 N                  1.65499100   11.97713400   -0.20214500
 O                  3.45078900    9.87831900   -0.06392200
 O                  0.96689200    9.27095900   -1.08591500
 O                  1.44709300   11.23776400   -2.95676000
 C                  2.85479300   12.75015900    0.25596300
 H                  3.34200200   13.11855300   -0.65456100
 H                  2.50241500   13.62795800    0.82305100
 C                  3.82075500   11.95987200    1.10578100
 C                  4.08421700   10.58483600    0.85924200
 C                  5.03420300    9.92326000    1.69261100
 C                  5.68493400   10.63041800    2.70261600
 H                  6.41001800   10.10091800    3.32502700
 C                  5.43446100   11.99076100    2.95191200
 C                  4.48897700   12.62568400    2.14312800
 H                  4.25844400   13.67894300    2.31854800
 C                  0.96886500   11.32672700    0.96759300
 H                  1.71450300   10.68999100    1.44927100
 H                  0.68792200   12.11572100    1.68320400
 C                 -0.24313800   10.51801000    0.58596700
 C                 -0.14908300    9.50203400   -0.40255500
 C                 -1.30052500    8.70775300   -0.66832900
 C                 -2.48224900    8.95075800    0.03384300
 H                 -3.35555200    8.33460200   -0.19126100
 C                 -2.59297900    9.96265500    1.00211900
 C                 -1.45614600   10.73526400    1.25422300
 H                 -1.50353200   11.53292600    1.99851400
 C                  0.68334900   12.90710500   -0.86764100
 H                 -0.22221600   12.31355800   -1.03847400
 H                  0.43377100   13.71173800   -0.15663300
 C                  1.16450600   13.46917600   -2.17018100
 C                  1.47129100   12.54472100   -3.19926400
 C                  1.78101000   13.04567000   -4.49115000
 C                  1.80986700   14.42749300   -4.69620300
 H                  2.06211100   14.79957400   -5.69191900
 C                  1.54449100   15.35374200   -3.67256400
 C                  1.21890400   14.84622000   -2.40959300
 H                  0.98608500   15.53411300   -1.59375400
 Al                 2.34238200   10.46045400   -1.47862900
 C                  4.56682800   10.32021400   -2.79603800
 O                  4.06050600   11.31834600   -2.21402300
 O                  5.62583000   10.05084300   -3.30190400
 C                 -3.88738300   10.18981100    1.74969900
 H                 -4.74910200   10.21345300    1.06747700
 H                 -4.08050300    9.39302200    2.48489700
 H                 -3.86749200   11.14158500    2.29546500
 C                 -1.21826800    7.63465400   -1.72132800
 H                 -0.94226800    8.06409800   -2.69262300
 H                 -0.44763800    6.89035500   -1.48220500
 H                 -2.17760600    7.11432800   -1.82969100
 C                  5.30652200    8.46270300    1.44888600
 H                  4.37387900    7.88385600    1.45783700
 H                  5.75188500    8.30679500    0.45789000
 H                  5.98804900    8.05646300    2.20678400
 C                  2.09898500   12.07072300   -5.59225200
 H                  3.03158300   11.53405600   -5.37586900
 H                  1.31545400   11.30753500   -5.68016300
 H                  2.20854900   12.58030100   -6.55739800
 C                  1.63477600   16.84157100   -3.92701600
 H                  2.68015500   17.18171200   -3.99142700
 H                  1.14672700   17.12091200   -4.87151700
 H                  1.15442900   17.41140000   -3.12132200
 C                  6.17033600   12.73342800    4.04391200
 H                  7.22206400   12.91880600    3.77489300
 H                  5.70657900   13.70829500    4.24164200
 H                  6.17512200   12.16824700    4.98722600
 O                  3.34832441    9.37924308   -2.68989396
 C                  3.61780046    8.01892933   -2.73907863
 H                  4.49947194    7.75664776   -2.13227164
 C                  2.37125335    7.31749249   -2.11596527
 C                  3.84033702    7.49701899   -4.17122478
 O                  2.52935490    5.81231459   -2.18257608
 C                  1.15034889    7.57935608   -3.00452556
 C                  2.12765200    7.74031521   -0.67475287
 C                  2.61995600    7.80986089   -5.06198551
 H                  4.04669132    6.41976877   -4.16303617
 H                  4.72832768    7.99869476   -4.55625701
 C                  3.55118390    5.19669794   -1.58636318
 C                  1.35316721    7.17382005   -4.47374584
 H                  0.97540281    8.65916984   -2.94460154
 H                  0.27548070    7.06660847   -2.57920532
 H                  2.97372785    7.46173306   -0.04182903
 H                  2.02843775    8.82942497   -0.66660358
 H                  1.20982296    7.28094573   -0.28350041
 C                  2.91501667    7.47284455   -6.50680480
 H                  2.48709927    8.89780692   -5.00533529
 O                  4.39014178    5.65900318   -0.84923028
 O                  3.60393313    3.85803045   -1.87112243
 H                  0.47779738    7.48329911   -5.06128318
 H                  1.40484549    6.08223506   -4.54075162
 C                  2.38570493    6.42333946   -7.15895916
 C                  3.87312251    8.41941460   -7.19299982
 C                  2.69307721    3.10157441   -2.76267319
 H                  2.64098050    6.21891885   -8.19882507
 H                  1.68124728    5.74230817   -6.68639963
 H                  3.46494653    9.43975313   -7.18643170
 H                  4.83345666    8.47457155   -6.66502761
 H                  4.06364233    8.12376165   -8.23130926
 C                  3.46332069    1.76380949   -2.71891893
 C                  2.63427255    3.66968203   -4.20242404
 C                  1.31978119    3.03150528   -2.09833348
 H                  3.54381673    1.42838313   -1.68474662
 C                  4.83528074    1.80255852   -3.39480261
 Cl                 2.39140878    0.38347491   -3.48696178
 C                  3.51172957    2.94355273   -5.22821832
 H                  2.91506455    4.71989136   -4.16101371
 H                  1.59153715    3.64914616   -4.53985314
 H                  1.41363741    2.65415730   -1.07279665
 H                  0.88314231    4.03306678   -2.07224097
 H                  0.66017990    2.36500386   -2.66088119
 C                  4.93064889    2.67037425   -4.68096833
 H                  5.12552737    0.77078812   -3.61805583
 H                  5.54263666    2.15994445   -2.64031264
 H                  3.05640035    1.98886066   -5.50931574
 H                  3.56235142    3.55281988   -6.13675914
 C                  5.74489261    3.95980535   -4.57053009
 H                  5.44688675    2.06641307   -5.44406980
 C                  6.24522254    4.46563928   -3.43544358
 C                  5.95885940    4.68229880   -5.88341759
 H                  6.06381163    4.03630173   -2.45660102
 H                  6.81946408    5.38914363   -3.45095146
 H                  6.25935182    3.98524417   -6.68024148
 H                  5.03931101    5.18095969   -6.22046729
 H                  6.72947859    5.45359973   -5.78605365
   
C,H,O,N 0
6-311G**
****
Al     0 
S   2   1.00
      0.9615000             -0.5021546        
      0.1819000              1.2342547        
S   1   1.00
      0.0657000              1.0000000        
P   2   1.00
      1.9280000             -0.0712584        
      0.2013000              1.0162966        
P   1   1.00
      0.0580000              1.0000000        
****
Cl     0 
S   2   1.00
      2.2310000             -0.4900589        
      0.4720000              1.2542684        
S   1   1.00
      0.1631000              1.0000000        
P   2   1.00
      6.2960000             -0.0635641        
      0.6333000              1.0141355        
P   1   1.00
      0.1819000              1.0000000        
****

AL     0
AL-ECP     2     10
d   potential
  5
1    304.7291926            -10.0000000        
2     61.5299768            -63.8079837        
2     13.9259006            -22.8972174        
2      4.1463626             -8.0063232        
2      1.3715443             -0.8829345        
s-d potential
  5
0    467.8437756              3.0000000        
1     79.3992216             50.9705682        
2     25.4035967            143.8716460        
2      6.9954696             48.0055753        
2      1.7860129             14.0114180        
p-d potential
  6
0    776.2717190              5.0000000        
1    118.4992254             93.0595424        
2     34.4107276            266.7686329        
2      8.7859563             70.0725805        
2      2.3406228             17.2290839        
2      0.7398386              0.7105331        
CL     0
CL-ECP     2     10
d   potential
  5
1     94.8130000            -10.0000000        
2    165.6440000             66.2729170        
2     30.8317000            -28.9685950        
2     10.5841000            -12.8663370        
2      3.7704000             -1.7102170        
s-d potential
  5
0    128.8391000              3.0000000        
1    120.3786000             12.8528510        
2     63.5622000            275.6723980        
2     18.0695000            115.6777120        
2      3.8142000             35.0606090        
p-d potential
  6
0    216.5263000              5.0000000        
1     46.5723000              7.4794860        
2    147.4685000            613.0320000        
2     48.9869000            280.8006850        
2     13.2096000            107.8788240        
2      3.1831000             15.3439560        


