%chk=000122514.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122514

0 1
 S   -1.898600      0.9462000     -0.8377000    
 O   -4.047700      -1.605800       1.147300    
 O   -3.598400      -1.450100      -1.075100    
 C    1.365100     -0.1736000     -0.5460000    
 C   0.6813000      0.9017000      0.4691000    
 C    2.376000      -1.186400      0.2466000    
 C  -0.5106000       1.847000     -2.5400000E-02
 C   0.2584000     -0.9923000      -1.274100    
 C    2.168300      0.4933000      -1.691600    
 C    1.753700       1.744100       1.220100    
 C    2.484500      -2.562900     -0.4623000    
 C    1.903800      -1.478700       1.697200    
 C    3.818100     -0.6459000      0.3791000    
 C  -4.3600000E-02   2.958700     -0.9888000    
 C   -1.155100       2.591400       1.175700    
 C   -2.212500     -0.2412000      0.4830000    
 C   -3.342800      -1.145400      8.2900003E-02
 H   0.2302000      0.3075000       1.268800    
 H   0.7306000      -1.721700      -1.946400    
 H  -0.3017000     -0.4225000      -2.011300    
 H  -0.3497000      -1.609100     -0.6194000    
 H    2.887200       1.231100      -1.326400    
 H    2.722500     -0.2481000      -2.278100    
 H    1.514900       1.001300      -2.404200    
 H    2.372900       2.317400      0.5252000    
 H    2.415000       1.167800       1.858800    
 H    1.297400       2.462300       1.905400    
 H    1.546200      -3.125900     -0.4203000    
 H    2.795500      -2.460100      -1.507000    
 H    3.238800      -3.192700      2.6400000E-02
 H    1.988100     -0.6491000       2.396100    
 H    2.500000      -2.289800       2.135900    
 H   0.8653000      -1.828400       1.701400    
 H    3.890200      0.3699000      0.7625000    
 H    4.414800      -1.279600       1.047200    
 H    4.334600     -0.6571000     -0.5877000    
 H   0.7924000       3.533200     -0.5783000    
 H   0.2639000       2.568400      -1.960400    
 H  -0.8486000       3.679200      -1.184400    
 H  -0.5277000       3.422700       1.517600    
 H   -2.121000       3.044500      0.9180000    
 H   -1.305000       1.937500       2.041000    
 H   -2.574700      0.3192000       1.350200    
 H   -1.387700     -0.8646000      0.8144000    
 H   -4.778100      -2.200400      0.8729000    


%chk=000122514-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122514

0 1
S -2.036967 0.623981 -0.459700
O -2.590490 -2.183188 1.494675
O -4.619939 -1.097164 1.169667
C 1.548676 -0.097605 -0.675735
C 0.813977 0.956964 0.301306
C 2.141936 -1.332542 0.199268
C -0.463334 1.766768 -0.178009
C 0.614400 -0.712260 -1.761547
C 2.697388 0.607005 -1.463217
C 1.829203 2.002905 0.871493
C 3.133765 -2.192564 -0.642894
C 0.994599 -2.273750 0.675979
C 2.935956 -0.898121 1.468122
C -0.321906 2.521087 -1.522942
C -0.908097 2.800460 0.893874
C -2.535303 0.215171 1.335382
C -3.380630 -1.036097 1.318938
H 0.451607 0.365111 1.168230
H 1.151443 -1.506716 -2.309952
H 0.322989 0.037707 -2.515245
H -0.309745 -1.136245 -1.348201
H 3.552960 0.896318 -0.828853
H 3.082338 -0.060729 -2.253935
H 2.323923 1.519312 -1.962494
H 2.037636 2.808326 0.144261
H 2.790704 1.538964 1.124292
H 1.445631 2.470566 1.793754
H 2.688815 -2.559933 -1.584178
H 4.053829 -1.634325 -0.891687
H 3.434129 -3.080703 -0.054820
H 0.182579 -1.734859 1.195727
H 1.398048 -3.026142 1.380575
H 0.536831 -2.820181 -0.166077
H 2.307052 -0.369105 2.205688
H 3.329953 -1.803939 1.967376
H 3.806055 -0.260338 1.224594
H 0.569462 3.175218 -1.488625
H -0.217644 1.851612 -2.389775
H -1.205946 3.161091 -1.691795
H -0.208796 3.654569 0.927807
H -1.907622 3.192780 0.636017
H -0.952704 2.364240 1.907869
H -3.122498 1.048122 1.747604
H -1.618652 0.042453 1.919014
H -3.169414 -2.991228 1.436068


