%chk=Poly-Freq5.chk
%nprocshared=12
%mem=22GB
#p freq=noraman b97d3/gen pseudo=read nosymm

Scan

-1 1
 Al                -5.48599300    2.53298200    4.71975200
 O                 -4.22988900    2.44929600    3.25695800
 O                 -4.95664600    4.04101900    5.59858500
 N                 -6.53567100    4.09656100    3.13429700
 O                 -7.21413200    2.26915600    5.22812900
 O                 -5.67714400    0.23280500    2.61057600
 C                 -5.89298000    4.85285500    6.09476100
 C                 -6.81904600    5.52052100    5.24266000
 C                 -7.85244100    6.30337400    5.77166300
 C                 -7.96596000    6.44071500    7.15296700
 C                 -7.05247800    5.86007100    8.03076800
 C                 -6.02473200    5.09112200    7.48165700
 C                 -6.59684400    5.45950400    3.74939900
 H                 -8.57778600    6.77524700    5.11226000
 H                 -7.14254400    5.97851800    9.10680900
 C                 -8.35047300    2.94223300    5.18589000
 C                 -9.18228100    3.07201500    6.32550600
 C                -10.38013000    3.78653200    6.32315800
 C                -10.78063100    4.38769600    5.13141400
 C                -10.00639000    4.30519600    3.97663100
 C                 -8.80166600    3.59341700    4.00520500
 H                -10.96678200    3.88492200    7.23192000
 H                -10.32007900    4.81190300    3.06488700
 C                 -7.89572700    3.58991500    2.80945600
 C                 -3.65689600    3.66334800    2.92905800
 C                 -2.45467600    4.11483100    3.48978700
 C                 -1.89049300    5.34557700    3.14911300
 C                 -2.58024500    6.14618300    2.24124500
 C                 -3.82387200    5.78164000    1.73275400
 C                 -4.36888300    4.54434000    2.10024800
 H                 -0.94320600    5.65699100    3.57850700
 H                 -4.37895300    6.45386800    1.08201300
 C                 -5.80075200    4.18768100    1.83200500
 C                 -6.31533600   -0.89007200    2.33418200
 C                 -7.72823900   -1.02558700    2.47785800
 C                 -8.44203700   -2.18211800    2.16033600
 C                 -7.74150600   -3.28369400    1.67848400
 C                 -6.35904400   -3.24380400    1.54331800
 C                 -5.65457000   -2.08026700    1.88669100
 H                 -1.84211900   -2.33157400    0.73811400
 H                 -9.52089300   -2.20751400    2.28666300
 H                 -5.81736600   -4.11988900    1.18873400
 H                 -5.05954500   -1.08920400   -0.24105300
 Al                -3.94591000    0.84522500    2.08063900
 H                 -1.78616900   -1.41649900    2.26280900
 O                 -2.22078600    1.47844500    1.69874900
 N                 -3.48246900   -1.04476500    1.11657700
 O                 -4.65386800    1.54043900    0.46728200
 H                 -7.75927100    2.57745000    2.41288100
 C                 -1.27743600    1.05167400    0.89379200
 C                 -1.11286300   -0.32554700    0.55791500
 C                 -0.09545700   -0.76167000   -0.29977000
 C                  0.79118800    0.16465500   -0.84173400
 C                  0.67700600    1.52607400   -0.56313200
 C                 -0.34705400    1.94112400    0.28843900
 C                 -2.01634500   -1.34074100    1.19422400
 H                  0.00133100   -1.81969500   -0.54129400
 H                  1.35375400    2.25255700   -1.00459400
 C                 -4.00987300    1.41105100   -0.68344500
 C                 -3.74834800    2.48428300   -1.57142000
 C                 -2.98301100    2.35219500   -2.73160100
 C                 -2.49248400    1.08841700   -3.05671300
 C                 -2.78616200   -0.02790900   -2.27876600
 C                 -3.54614500    0.13286300   -1.11589100
 H                 -2.77174100    3.21851500   -3.35240700
 H                 -2.41093200   -1.01046200   -2.55942200
 C                 -3.96350800   -1.05973500   -0.30252000
 H                 -3.62535800   -1.99526000   -0.78134400
 H                 -5.62460700    5.92639200    3.55080600
 H                 -7.36582900    6.05889800    3.22948800
 H                 -8.33996900    4.21210900    2.00919800
 C                 -4.15534200   -2.15235500    1.86487800
 H                 -3.84254600   -3.11363900    1.42047300
 H                 -3.76144100   -2.11273200    2.88686700
 H                 -5.87037900    3.21849200    1.32827500
 H                 -6.27704600    4.94683000    1.18682800
 O                 -3.25347000   -0.08391900    3.68105800
 C                 -2.36844400    0.01628600    4.55573100
 O                 -2.55832200    0.14267700    5.82367300
 O                 -1.09205300   -0.08697700    4.13890400
 C                  0.00447900   -0.39983900    5.07065300
 C                  0.80299500   -1.44197000    4.27028600
 H                  0.15996600   -2.28325800    3.99363300
 C                  0.80874300    0.86186400    5.37691400
 H                  0.15522500    1.58420400    5.87951600
 H                  1.59259000    0.58285400    6.09808100
 O                 -4.76736000    1.11403200    5.62489500
 C                 -3.97095800   -0.16527400    6.52334600
 C                 -5.19953100   -0.20039400    5.76502300
 H                 -3.59875400   -1.19980300    6.80393500
 C                 -3.96922700    0.62825100    7.84431300
 C                 -6.48171600   -0.50820100    6.55752400
 H                 -3.35528200    0.07192900    8.57145100
 H                 -3.49269500    1.60111200    7.68191800
 C                 -5.39457400    0.82739100    8.40153600
 H                 -6.81403200   -1.52437800    6.29142200
 H                 -7.24718100    0.19187200    6.20344900
 C                 -6.29083500   -0.37652100    8.07984300
 H                 -5.83889500    1.72524000    7.96200300
 H                 -5.82982400   -1.29643700    8.48283400
 H                 -7.27066500   -0.26962000    8.56756600
 C                  1.44357500    1.45577900    4.10878700
 H                  0.64899800    1.79631700    3.42991800
 H                  2.03516200    2.34362600    4.37753200
 C                  1.53353200   -0.85440500    3.07052600
 H                  0.74710600   -0.59866100    2.34094000
 H                  2.16512600   -1.61754800    2.59584100
 C                  2.32839800    0.41794700    3.39775900
 H                  2.72910900    0.83498600    2.46212700
 H                 -5.16422800   -0.76466400    4.82651000
 H                 -5.33613700    0.99627900    9.48776900
 H                 -0.43223100   -0.83437800    5.97521500
 H                  3.18994800    0.15858700    4.03521000
 Cl                 2.11507000   -0.40630700   -1.93925500
 Cl                -1.45363100    0.89877800   -4.52758200
 Cl                -4.41886900    4.11812400   -1.21980800
 Cl                -1.85342700    7.72862000    1.75179000
 Cl                -8.64616500   -4.78806300    1.23048100
 Cl                -4.82133300    4.36405800    8.60703200
 Cl                -8.65380400    2.34805500    7.88423400
 Cl               -12.32873000    5.33025000    5.09943600
 Cl                -9.34984600    7.39339400    7.83574800
 Cl                -1.63713700    3.14725300    4.74225300
 Cl                -8.70257200    0.33063300    3.12689200
 Cl                -0.50575600    3.69955500    0.60778000
 I                  2.23930800   -2.46720700    5.69242700

C,H,O,N 0
6-31G*
****
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        
****
I     0 
S   2   1.00
      0.7242000             -2.9731048        
      0.4653000              3.4827643        
S   1   1.00
      0.1336000              1.0000000        
P   2   1.00
      1.2900000             -0.2092377        
      0.3180000              1.1035347        
P   1   1.00
      0.1053000              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        
I     0
I-ECP     3     46
f   potential
  5
0      1.0715702             -0.0747621        
1     44.1936028            -30.0811224        
2     12.9367609            -75.3722721        
2      3.1956412            -22.0563758        
2      0.8589806             -1.6979585        
s-f potential
  5
0    127.9202670              2.9380036        
1     78.6211465             41.2471267        
2     36.5146237            287.8680095        
2      9.9065681            114.3758506        
2      1.9420086             37.6547714        
p-f potential
  5
0     13.0035304              2.2222630        
1     76.0331404             39.4090831        
2     24.1961684            177.4075002        
2      6.4053433             77.9889462        
2      1.5851786             25.7547641        
d-f potential
  5
0     40.4278108              7.0524360        
1     28.9084375             33.3041635        
2     15.6268936            186.9453875        
2      4.1442856             71.9688361        
2      0.9377235              9.3630657


