%chk=000037773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037773

0 1
 S   0.1962000       5.107900     -1.7300000E-02
 O   -1.391900     -0.9234000      -1.314700    
 O    1.282400     -0.9513000       1.292700    
 O   -2.814900       1.292200     -0.3634000    
 O    2.928200       1.115000      0.3644000    
 O   -1.571100       1.235100       1.601600    
 O    1.752100       1.170300      -1.643200    
 N   -1.600200       3.105500      0.2316000    
 N    1.906400       3.032000     -0.2680000    
 C   -1.370900      -1.443500      -2.642700    
 C    1.177200      -1.453000       2.623700    
 C   -2.533800      -1.108500     -0.5954000    
 C    2.421800      -1.247700      0.6076000    
 C  -0.2687000      -2.485800      -2.754900    
 C   -1.171500     -0.2996000      -3.625200    
 C    1.056600     -0.2852000       3.590800    
 C  -1.8700000E-02  -2.388800       2.713100    
 C   -3.253600     -1.5000000E-02 -0.1138000    
 C    3.252000     -0.2298000      0.1378000    
 C   -2.981600      -2.404900     -0.3410000    
 C    2.755700      -2.582300      0.3766000    
 C   -4.421200     -0.2180000      0.6218000    
 C    4.415900     -0.5467000     -0.5627000    
 C   -4.149300      -2.607800      0.3945000    
 C    3.919800      -2.899000     -0.3237000    
 C   -4.869000      -1.514400      0.8760000    
 C    4.749600      -1.881200     -0.7934000    
 C  -0.7146000       3.932500       1.018000    
 C    1.125200       3.953000      -1.066600    
 C   -1.954400       1.822900      0.5949000    
 C    2.146200       1.719400     -0.6191000    
 H   -2.325100      -1.925300      -2.896100    
 H    2.076000      -2.017100       2.907900    
 H  -0.4268000      -3.301800      -2.042800    
 H  -0.2222000      -2.908500      -3.763100    
 H   0.7064000      -2.047100      -2.514800    
 H  -0.2347000      0.2308000      -3.424200    
 H   -1.155200     -0.6593000      -4.658400    
 H   -1.976800      0.4360000      -3.523700    
 H    1.923000      0.3785000       3.498800    
 H   0.9912000     -0.6318000       4.626700    
 H   0.1724000      0.3203000       3.370400    
 H   8.1299998E-02  -3.221300       2.009500    
 H  -0.1290000      -2.797600       3.722100    
 H  -0.9431000      -1.864200       2.446600    
 H   -2.428800      -3.269100     -0.6972000    
 H    2.116400      -3.388500      0.7240000    
 H   -4.986500      0.6297000      0.9993000    
 H    5.066800      0.2416000     -0.9308000    
 H   -4.496400      -3.617100      0.5950000    
 H    4.178300      -3.938000     -0.5060000    
 H   -5.777800      -1.672400       1.449300    
 H    5.655600      -2.127800      -1.339400    
 H  -3.3599999E-02   3.315500       1.611900    
 H   -1.340500       4.498700       1.714400    
 H   0.4493000       3.406800      -1.731400    
 H    1.824700       4.523100      -1.684800    
 H   -2.005800       3.499900     -0.6112000    
 H    2.325000       3.382500      0.5878000    


%chk=000037773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037773

0 1
S 0.191844 4.618196 0.003027
O -2.439945 -0.229451 -1.636242
O 2.392283 -0.420036 1.620134
O -3.504392 1.369991 0.316359
O 3.599208 1.075087 -0.331533
O -1.465769 0.641464 1.293982
O 1.502665 0.531028 -1.307701
N -1.888967 2.891877 0.749863
N 2.125806 2.734588 -0.763416
C -1.726939 -1.079145 -2.645874
C 1.622632 -1.194656 2.648653
C -3.442991 -0.797456 -0.857606
C 3.345681 -1.075190 0.848006
C -0.725574 -2.008226 -1.940189
C -1.050484 -0.082545 -3.591016
C 1.040342 -0.133398 3.585834
C 0.539338 -2.045653 1.966025
C -3.983832 0.035543 0.162908
C 3.959306 -0.295867 -0.173851
C -3.987944 -2.097922 -1.016406
C 3.775754 -2.417425 1.012101
C -5.044669 -0.390632 0.975141
C 4.980100 -0.815438 -0.983133
C -5.055597 -2.528607 -0.196498
C 4.802928 -2.942087 0.195223
C -5.594028 -1.681640 0.796388
C 5.414601 -2.148897 -0.799694
C -0.637605 3.440310 1.238889
C 0.926958 3.392653 -1.247546
C -2.187846 1.546176 0.822554
C 2.303058 1.367281 -0.836813
H -2.495090 -1.658956 -3.199586
H 2.346620 -1.828722 3.202303
H -1.220369 -2.653763 -1.193698
H -0.232168 -2.658840 -2.686349
H 0.048443 -1.404723 -1.438212
H -0.275724 0.481758 -3.045450
H -0.562825 -0.625813 -4.420976
H -1.790567 0.617883 -4.015239
H 1.839511 0.509910 3.992801
H 0.518264 -0.623538 4.427950
H 0.308505 0.484328 3.038848
H 0.968225 -2.735453 1.218359
H 0.004946 -2.647626 2.724753
H -0.190074 -1.385030 1.468965
H -3.591362 -2.774853 -1.777925
H 3.321696 -3.054972 1.775375
H -5.428556 0.294010 1.738080
H 5.423086 -0.168807 -1.747202
H -5.465082 -3.534623 -0.339978
H 5.122630 -3.979581 0.342657
H -6.422679 -2.017576 1.427338
H 6.211705 -2.557877 -1.428100
H 0.047315 2.611658 1.476846
H -0.776948 4.074243 2.132160
H 0.177091 2.627082 -1.500659
H 1.122823 4.026176 -2.130363
H -2.592142 3.511965 0.344620
H 2.880801 3.288218 -0.355083


