%chk=000090710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090710

0 1
 S   -2.687000       2.135700      0.6352000    
 P    1.689900      0.1837000      8.5900001E-02
 P   -3.445600      0.1803000      0.5718000    
 O    1.024400      -1.131600     -0.6057000    
 O    3.260200      2.2399999E-02 -0.3142000    
 O    1.506500      0.1846000       1.582800    
 O   -5.066000      0.1922000      0.4410000    
 O   -2.976800     -0.5199000     -0.8189000    
 O   -2.992400     -0.5966000       1.780800    
 N    1.092000       1.511400     -0.7273000    
 C  -0.3639000       1.670600     -0.7545000    
 C    1.364100      -2.412900     -0.1034000    
 C    4.244500      0.8293000      0.3112000    
 C  -0.8817000       1.936700      0.6534000    
 C    1.626300       1.769900      -2.065900    
 C    1.114100      -3.456100      -1.182000    
 C   0.5514000      -2.690100       1.152200    
 C    4.572100      0.2495000       1.678800    
 C    5.473300      0.9030000     -0.5823000    
 C   -5.686200      0.8740000     -0.6355000    
 C   -3.418900      -1.836200      -1.103400    
 H  -0.6434000       2.525200      -1.384800    
 H  -0.8210000      0.7786000      -1.194200    
 H    2.430800      -2.433200      0.1474000    
 H    3.847700       1.843600      0.4353000    
 H  -0.6729000       1.116300       1.340400    
 H  -0.4384000       2.850000       1.063800    
 H    2.718600       1.815700      -2.046000    
 H    1.290000       2.737700      -2.454000    
 H    1.330100      0.9837000      -2.768100    
 H   6.1000001E-02  -3.459500      -1.484400    
 H    1.384600      -4.459200     -0.8390000    
 H    1.698000      -3.223500      -2.079100    
 H   0.8744000      -2.074900       1.994300    
 H   0.6531000      -3.735200       1.462700    
 H  -0.5103000      -2.476300      0.9868000    
 H    3.745600      0.3640000       2.382700    
 H    5.440500      0.7502000       2.119100    
 H    4.785800     -0.8227000       1.608200    
 H    5.208400       1.308100      -1.564600    
 H    6.250100       1.535400     -0.1420000    
 H    5.889500     -9.5399998E-02 -0.7562000    
 H   -5.702300       1.946900     -0.4292000    
 H   -5.161500      0.6862000      -1.575400    
 H   -6.714900      0.5168000     -0.7276000    
 H   -3.137200      -2.509600     -0.2897000    
 H   -4.502600      -1.851300      -1.241000    
 H   -2.938800      -2.173700      -2.025100    


%chk=000090710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090710

0 1
S -2.842895 1.902283 -1.495131
P 1.798277 0.257228 -0.178373
P -3.384738 -0.188013 -0.733559
O 1.678825 -1.387708 -0.698696
O 3.500328 0.584451 -0.137906
O 1.023099 0.610095 1.174485
O -3.484305 -0.088313 0.992244
O -5.041543 -0.185884 -1.260208
O -2.506129 -1.437865 -1.175462
N 1.288779 1.117459 -1.593290
C -0.158993 1.011623 -1.927076
C 1.581065 -2.525863 0.286601
C 4.092888 1.133353 1.134897
C -0.999853 1.903351 -0.990098
C 2.221441 1.388891 -2.708665
C 1.937678 -3.763454 -0.542439
C 0.174969 -2.572138 0.901226
C 4.285212 -0.002726 2.149136
C 5.400591 1.795314 0.692390
C -4.325369 0.960100 1.613745
C -5.581481 -1.419542 -1.882285
H -0.281836 1.350157 -2.970656
H -0.513162 -0.038038 -1.876746
H 2.345037 -2.360263 1.074758
H 3.386013 1.882769 1.541567
H -0.910880 1.587974 0.062303
H -0.703002 2.962866 -1.069760
H 3.245999 1.476880 -2.315507
H 1.943639 2.347267 -3.185160
H 2.202235 0.587570 -3.475338
H 1.197192 -3.903144 -1.349107
H 1.931766 -4.663725 0.099381
H 2.937412 -3.655747 -0.996444
H -0.010462 -1.680283 1.523473
H 0.074558 -3.473805 1.534862
H -0.594660 -2.606702 0.109882
H 3.309283 -0.419775 2.453550
H 4.790435 0.379452 3.055629
H 4.907611 -0.804704 1.713568
H 5.206408 2.589984 -0.047976
H 5.911068 2.243787 1.564434
H 6.074103 1.048260 0.237076
H -4.020676 1.964186 1.265430
H -5.390826 0.787690 1.382350
H -4.139025 0.857009 2.692798
H -4.947689 -1.749107 -2.723739
H -5.664332 -2.232309 -1.139271
H -6.578856 -1.127089 -2.242591


