%chk=000001422.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001422

0 1
 S    3.303100       1.992400      -1.691400    
 O    2.581100      -1.736100     -0.2486000    
 O   -2.169400      -1.229000      3.7700001E-02
 O   0.6674000       2.676000      0.2220000    
 O  -0.1946000       4.779000      0.4536000    
 C    4.131000      0.1250000      0.1870000    
 C    3.013300       1.155700     -7.6399997E-02
 C    3.828800      -1.146300     -0.6263000    
 C    1.645700      0.5044000     -4.8999999E-02
 C    1.506800     -0.8842000     -0.1585000    
 C   0.2313000      -1.478400     -0.1131000    
 C   0.4746000       1.276300      0.1001000    
 C  -0.8175000      0.7308000      0.1365000    
 C  -0.9168000     -0.6729000      3.3300001E-02
 C    4.256300     -0.1456000       1.696900    
 C   -2.331800      -2.634600      0.3010000    
 C    4.901300      -2.221400     -0.4714000    
 C   -1.955000       1.671300      0.2882000    
 C   7.4400000E-02  -2.927800     -0.2369000    
 C   -1.127000      -3.468900     -2.9899999E-02
 C   -3.378800       1.192100      0.3366000    
 C   -2.694700      -2.794000       1.781800    
 C   -3.512700      -3.083400     -0.5684000    
 C   -1.718800       2.988000      0.3881000    
 C  -0.3743000       3.570700      0.3592000    
 C   -3.995700       1.134800      -1.055200    
 C   -5.427800      0.6262000     -0.9969000    
 H    5.098800      0.5369000     -0.1301000    
 H    3.066000       1.936900      0.6911000    
 H    3.773600     -0.9081000      -1.696400    
 H    4.420200      0.7904000       2.242200    
 H    3.362600     -0.6220000       2.111300    
 H    5.113100     -0.7924000       1.910000    
 H    4.906100      -2.646100      0.5377000    
 H    4.694100      -3.056700      -1.149900    
 H    5.896300      -1.829300     -0.7016000    
 H   0.9265000      -3.556200     -0.4663000    
 H   -1.236800      -4.548900     -8.2099997E-02
 H    2.336200       2.913400      -1.565200    
 H   -3.511200      0.2719000      0.9093000    
 H   -3.968700       1.915200      0.9211000    
 H   -1.883400      -2.436600       2.427200    
 H   -3.575600      -2.192200       2.034400    
 H   -2.903900      -3.837700       2.041200    
 H   -3.745500      -4.144800     -0.4289000    
 H   -4.412700      -2.504500     -0.3340000    
 H   -3.303600      -2.912500      -1.631400    
 H   -2.536000       3.695500      0.4966000    
 H   -3.988700       2.128700      -1.519100    
 H   -3.414000      0.4738000      -1.708400    
 H   -6.056400       1.294700     -0.3998000    
 H   -5.475800     -0.3732000     -0.5551000    
 H   -5.851900      0.5730000      -2.004500    


%chk=000001422-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001422

0 1
S 3.440584 2.090034 -1.619943
O 2.554206 -1.727101 -0.366351
O -2.226448 -1.265616 0.006463
O 0.686108 2.669098 0.256944
O -0.067707 4.828429 0.561391
C 4.104625 0.118040 0.294559
C 2.995662 1.166268 0.026551
C 3.883708 -1.082287 -0.657431
C 1.630707 0.527664 -0.025970
C 1.472046 -0.868132 -0.192544
C 0.187517 -1.483965 -0.168056
C 0.453200 1.297866 0.121397
C -0.876447 0.756830 0.135651
C -0.961715 -0.672993 0.019314
C 4.137954 -0.279770 1.789517
C -2.347888 -2.738896 0.379615
C 4.907058 -2.210317 -0.563728
C -1.991207 1.692386 0.293855
C 0.012068 -2.912934 -0.432678
C -1.192804 -3.514074 -0.232036
C -3.451286 1.276559 0.242890
C -2.324768 -2.822632 1.923214
C -3.708634 -3.150167 -0.201450
C -1.723151 3.047209 0.448272
C -0.402214 3.633498 0.442900
C -3.950608 1.063231 -1.216681
C -5.440941 0.667336 -1.258501
H 5.077671 0.574200 0.027613
H 3.017702 1.960163 0.788697
H 3.819944 -0.700703 -1.696824
H 4.274497 0.617298 2.419242
H 3.202168 -0.776582 2.100611
H 4.975478 -0.966854 2.002644
H 4.912478 -2.663547 0.441537
H 4.674096 -3.001491 -1.296569
H 5.917740 -1.821818 -0.783377
H 0.872920 -3.465841 -0.818074
H -1.359698 -4.571132 -0.466360
H 2.475474 3.069387 -1.461304
H -3.613847 0.341919 0.803289
H -4.062815 2.071680 0.710493
H -1.364931 -2.448793 2.319715
H -3.149844 -2.229858 2.357331
H -2.439087 -3.873862 2.244533
H -3.921522 -4.204520 0.050853
H -4.513371 -2.522102 0.218258
H -3.711681 -3.042509 -1.298974
H -2.544723 3.758040 0.572837
H -3.790556 1.995537 -1.792896
H -3.341780 0.274258 -1.693965
H -6.075358 1.438454 -0.781722
H -5.611587 -0.287389 -0.725873
H -5.789495 0.539799 -2.299579


