%chk=FCa-cis.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

FCa-cis

-1 1
 O                 -4.09139300    7.31451600   -2.97828600
 C                 -3.16702500    8.15136500   -2.98569000
 O                 -2.07417300    8.06872900   -2.29611100
 Al                 1.06865500    4.36289500   -0.44104500
 N                  2.96799200    3.42272700    0.25177900
 O                  1.94628300    5.98673900   -0.30344600
 O                  1.29606100    3.36206800   -1.97894700
 O                 -0.53741100    5.03193000   -0.94608800
 O                  0.32200400    3.65991200    1.08317400
 C                  3.12959200    6.41824800    0.12550900
 C                  3.53654300    7.74106400   -0.20278900
 C                  4.78684500    8.20021000    0.21495900
 C                  5.67599800    7.40080900    0.95266000
 C                  5.25819000    6.10714900    1.27808100
 H                  5.08220600    9.21776600   -0.04996000
 H                  5.91989400    5.45764300    1.85450100
 C                  0.69967000    2.88862400    2.09309300
 C                  1.84638000    2.06265800    2.02759500
 C                  2.21112300    1.27877900    3.12957700
 C                  1.46003700    1.27199800    4.30923200
 C                  0.33032100    2.10751600    4.36509000
 C                 -0.05992800    2.91525600    3.29553600
 C                  3.93686400    3.33622200   -0.88170100
 H                  3.10904100    0.66123400    3.05866500
 H                 -0.26116100    2.13862100    5.28269600
 C                  2.18034300    2.50302800   -2.47441900
 C                  3.49906100    2.40368800   -1.97425200
 C                  4.38356800    1.45933200   -2.50945300
 C                  4.00998000    0.61083300   -3.55687300
 C                  2.69822400    0.72512600   -4.04900600
 C                  1.78059100    1.64243300   -3.53289700
 C                  3.56256500    4.24954000    1.34296900
 H                  5.39083500    1.39071300   -2.09365100
 H                  2.37635100    0.06607600   -4.85819500
 C                  2.66545500    2.05019300    0.76784600
 H                  2.13911700    1.52373700   -0.03707600
 H                  3.61424100    1.51466200    0.94098700
 H                  4.41500700    3.70340400    1.78257200
 H                  4.05428800    4.35631100   -1.26736000
 H                  4.91978900    3.02345900   -0.48932800
 H                  2.80052100    4.33496700    2.12598700
 C                 -1.72522700    6.90981000   -1.30577200
 C                 -3.25563700    5.07076300   -0.33981700
 H                 -0.90845600    7.40965100   -0.78509300
 C                 -1.10057700    5.69361300   -2.02893500
 C                 -2.17898400    4.80618700   -2.68513300
 C                 -3.39988400    4.51664100   -1.77793100
 H                 -1.66120200    3.87675500   -2.94449600
 H                 -3.55700900    3.43498700   -1.69440500
 H                 -4.30178800    4.93542500   -2.23044400
 O                 -3.32333700    9.22405400   -3.75876400
 C                 -2.43085200   10.38078000   -3.99928600
 C                 -2.40662800   11.33990900   -2.79040800
 H                 -3.01940000   10.86840900   -4.77928000
 C                  0.12388600    9.86766200   -3.59048400
 C                 -1.27489100   11.06714000   -1.81091700
 C                  0.09739800   10.93702900   -2.47972000
 H                 -1.53416700   10.13300000   -1.29613500
 H                  0.36790200   11.91595100   -2.88875400
 H                  0.84717700   10.68348000   -1.72265100
 C                  2.60250300    8.60956300   -1.00004800
 H                  2.48286300    8.23824900   -2.02498400
 H                  1.59989900    8.61350300   -0.55317700
 H                  2.97455500    9.63984000   -1.05728300
 C                  0.36873800    1.74091700   -4.04760500
 H                 -0.35353700    1.59570200   -3.23362100
 H                  0.16511200    2.73997200   -4.45529100
 H                  0.17887000    0.99663900   -4.83046600
 C                  7.02336400    7.93180200    1.38711000
 H                  7.58284000    8.35717400    0.54154600
 H                  6.92405400    8.72831200    2.14032000
 H                  7.63833600    7.13722300    1.82756400
 C                 -1.24400100    3.84150100    3.37666600
 H                 -0.93108600    4.88518600    3.23411100
 H                 -1.96607500    3.63808200    2.57792000
 H                 -1.75198300    3.75351500    4.34479800
 C                  1.83783100    0.39455500    5.48121300
 H                  1.77869900    0.94299000    6.43190400
 H                  1.17062400   -0.47690900    5.57025600
 H                  2.86172900    0.01352200    5.37755300
 C                  4.98222400   -0.38146100   -4.15387500
 H                  4.50269400   -1.35203300   -4.34202600
 H                  5.38575800   -0.02888700   -5.11590100
 H                  5.83491000   -0.55303700   -3.48483800
 C                 -0.05666900    6.11930400   -3.07067500
 H                  0.71472600    6.72886900   -2.58836800
 H                  0.42486500    5.21739500   -3.46165000
 H                 -0.50366100    6.67686600   -3.90319500
 H                 -2.51700900    5.26678100   -3.62328900
 C                 -2.89381000    6.57585900   -0.35927600
 H                 -3.76752100    7.16522800   -0.64676100
 H                 -2.61763500    6.89117500    0.65441500
 H                 -1.26260500   11.86315600   -1.05686700
 C                 -1.05495900   10.03930800   -4.57867200
 H                 -0.82236600   10.86963300   -5.25651600
 H                 -1.14646100    9.14477500   -5.20481200
 C                 -3.76220100   11.52042500   -2.14560900
 H                 -4.52323000   11.79719000   -2.88054700
 H                 -4.07390300   10.57580800   -1.69411300
 H                 -3.71831200   12.28960500   -1.36917400
 Cl                -2.00511200   13.05346300   -3.63566400
 C                  4.00426400    5.61370300    0.89476200
 C                 -4.51355600    4.76387400    0.45782400
 C                 -4.58967800    3.63290700    1.17800000
 C                 -5.68535600    5.70824000    0.36329900
 H                 -5.49930000    3.35423400    1.71026300
 H                 -3.74668000    2.94652100    1.24159400
 H                 -5.46426000    6.65401700    0.87780300
 H                 -5.91379100    5.95714400   -0.67855700
 H                 -6.58193100    5.27570100    0.82221200
 H                 -2.41541900    4.54971600    0.12368900
 C                  1.42083500    9.87576700   -4.39271700
 C                  2.00022100    8.73079300   -4.78033400
 C                  2.00368000   11.21552100   -4.77692700
 H                  1.59743800    7.76146000   -4.50003500
 H                  2.90539500    8.73276200   -5.38674400
 H                  1.24170800   11.88982400   -5.19254000
 H                  2.42657000   11.72683600   -3.90057400
 H                  2.80249100   11.09797200   -5.51717600
 H                  0.02620500    8.89017200   -3.11653600
   
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        


