%chk=000116502.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116502

0 1
 S    5.721100      0.1170000      0.9837000    
 S   -5.414000     -0.8664000      -1.354000    
 S    1.444800       3.908200     -0.4197000    
 S   -1.149300       3.089800      -2.244000    
 S  -0.6056000       4.041900     -0.5052000    
 O    6.208100      0.9005000     -0.3346000    
 O   -6.097000      0.5865000      -1.245500    
 O    6.900700     -0.6393000       1.519000    
 O   -6.518600      -1.879400      -1.415800    
 C    3.349700     -0.9364000     -8.0399998E-02
 C   -3.515700     -0.5233000      0.6817000    
 C    2.619500      0.1448000      0.5457000    
 C   -2.527100     -0.2129000     -0.3285000    
 C    4.735800      -1.061100      3.9099999E-02
 C   -4.838100     -0.8316000      0.3542000    
 C    2.413400       1.339700     -0.1439000    
 C   -2.341400       1.106400     -0.7418000    
 C    2.631000      -1.875500     -0.8235000    
 C   -3.118700     -0.5097000       2.020700    
 C    2.121800     -8.2999999E-03   1.839800    
 C   -1.760000      -1.234000     -0.8892000    
 C    1.709500       2.381300      0.4606000    
 C   -1.388900       1.401100      -1.714700    
 C    5.399500      -2.119600     -0.5812000    
 C   -5.758300      -1.124900       1.360600    
 C    3.294900      -2.933900      -1.443900    
 C   -4.039000     -0.8029000       3.027000    
 C    1.418100       1.033100       2.444200    
 C  -0.8071000     -0.9360000      -1.863200    
 C    1.211800       2.227900       1.754700    
 C  -0.6211000      0.3832000      -2.276300    
 C    4.679000      -3.055900      -1.322800    
 C   -5.358800      -1.110400       2.697100    
 H    2.801500       1.457200      -1.154200    
 H   -2.950200       1.896800     -0.3066000    
 H    1.553600      -1.814200     -0.9040000    
 H   -2.094200     -0.2719000       2.298900    
 H    2.273500     -0.9331000       2.391500    
 H   -1.895700      -2.268500     -0.5828000    
 H    6.477600      -2.235600     -0.5078000    
 H   -6.794000      -1.362200       1.132100    
 H    2.733000      -3.666600      -2.015700    
 H   -3.728100     -0.7911000       4.067600    
 H    1.031500      0.9139000       3.452100    
 H  -0.2293000      -1.734000      -2.319100    
 H   0.6672000       3.027700       2.250500    
 H   0.1236000      0.5961000      -3.039200    
 H    5.195500      -3.880200      -1.805900    
 H   -6.075600      -1.337200       3.481000    
 H    7.141500       1.200400     -0.2303000    
 H   -6.933400      0.6123000      -1.767000    


%chk=000116502-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116502

0 1
S 4.818592 0.626885 -1.407128
S -5.194369 0.110343 -1.906465
S 1.700607 4.386543 0.367976
S -0.786576 2.900543 -1.983045
S -0.541307 4.011235 0.011673
O 3.229444 1.045610 -2.407979
O -5.129476 1.760920 -0.936784
O 5.845528 -0.078896 -2.465397
O -6.775433 -0.180547 -2.215766
C 3.276534 -0.718737 0.669471
C -3.539690 -1.196355 0.097438
C 3.008441 0.578784 1.358752
C -2.299315 -0.687372 -0.562462
C 3.972622 -0.850839 -0.561206
C -4.858616 -0.888712 -0.326088
C 2.535859 1.710063 0.643441
C -2.141723 0.686016 -0.886051
C 2.807647 -1.930319 1.255356
C -3.429233 -2.054700 1.228933
C 3.183363 0.685388 2.767244
C -1.230792 -1.585026 -0.843318
C 2.240530 2.912147 1.324993
C -0.942151 1.136290 -1.485955
C 4.196946 -2.085989 -1.194261
C -6.010412 -1.380832 0.310768
C 3.011839 -3.179776 0.635021
C -4.569761 -2.552132 1.892260
C 2.891022 1.889960 3.440871
C -0.039569 -1.124930 -1.442334
C 2.409505 3.010845 2.725974
C 0.116545 0.241554 -1.770781
C 3.702815 -3.264259 -0.597074
C -5.866744 -2.214519 1.439063
H 2.362904 1.644355 -0.435137
H -2.938741 1.398795 -0.645863
H 2.247286 -1.872453 2.194646
H -2.428850 -2.301130 1.601260
H 3.572576 -0.170746 3.329878
H -1.349051 -2.649977 -0.612293
H 4.782885 -2.103066 -2.121572
H -6.991937 -1.124641 -0.106710
H 2.630408 -4.089084 1.112126
H -4.447225 -3.200577 2.766637
H 3.038067 1.959029 4.523844
H 0.774913 -1.825052 -1.657432
H 2.168816 3.945775 3.241595
H 1.049543 0.594637 -2.225112
H 3.864591 -4.233479 -1.079741
H -6.753200 -2.599184 1.953600
H 3.457621 1.836550 -2.975359
H -5.335277 2.480762 -1.600509


