%chk=000090851.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090851

0 1
 S    1.298500      -1.839800      0.4346000    
 O   -1.740100       3.354700     -8.4899999E-02
 O    1.514400      -3.032500     -0.3553000    
 O   0.9561000      -1.925000       1.837700    
 N   0.1484000     -0.8464000     -0.3577000    
 C   -1.587100      0.9619000     -0.2003000    
 C   -1.301900       1.272200      -1.694700    
 C  -0.2982000      0.3557000      0.4138000    
 C  -0.7875000      4.6500001E-02  -2.449000    
 C   0.4534000     -0.5277000      -1.779400    
 C   -2.866000      0.1285000     -2.5900001E-02
 C   -1.793200       2.281600      0.5141000    
 C   -4.079100      0.6154000     -0.5044000    
 C   -2.804000      -1.108700      0.6089000    
 C   -2.068600       2.215400       1.991900    
 C    2.735000     -0.8250000      0.2853000    
 C   -5.240200     -0.1412000     -0.3464000    
 C   -3.965300      -1.865300      0.7667000    
 C    3.020400      9.5899999E-02   1.280200    
 C    3.553200     -0.9656000     -0.8239000    
 C   -5.183300      -1.381400      0.2891000    
 C    4.155300      0.8985000       1.162600    
 C    4.688100     -0.1631000     -0.9412000    
 C    4.989000      0.7689000      5.2099999E-02
 C    6.202800       1.626600     -7.3600002E-02
 H  -0.5341000       2.054500      -1.779200    
 H   -2.185700       1.666400      -2.210300    
 H   0.5029000       1.106400      0.3944000    
 H  -0.4544000      8.8699996E-02   1.464000    
 H   -1.572900     -0.7174000      -2.496100    
 H  -0.5512000      0.3244000      -3.482400    
 H   0.7517000      -1.433400      -2.316900    
 H    1.262400      0.2067000      -1.845200    
 H   -4.149400       1.582200     -0.9944000    
 H   -1.893300      -1.530500       1.013800    
 H   -2.874900       1.519600       2.228200    
 H   -1.161600       1.946300       2.537400    
 H   -2.383800       3.206700       2.334100    
 H   -6.189100      0.2363000     -0.7161000    
 H   -3.922700      -2.829600       1.264600    
 H    2.382300      0.2155000       2.150400    
 H    3.336700      -1.683200      -1.609200    
 H   -6.087600      -1.969900      0.4134000    
 H    4.377600       1.622900       1.941600    
 H    5.328800     -0.2716000      -1.812300    
 H    6.998700       1.107200     -0.6181000    
 H    5.956700       2.549600     -0.6078000    
 H    6.606100       1.887600      0.9107000    


%chk=000090851-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090851

0 1
S 1.330055 -1.773197 0.166132
O -2.257759 3.410852 -0.269067
O 1.584328 -3.021506 -0.843062
O 0.813733 -1.952092 1.702190
N -0.021397 -0.753070 -0.645463
C -1.733032 1.009180 -0.365673
C -1.615851 1.260944 -1.899889
C -0.362534 0.451640 0.139955
C -1.142132 0.001002 -2.655659
C 0.202519 -0.510235 -2.088817
C -2.938902 0.098780 -0.024638
C -1.991026 2.362684 0.374738
C -4.237244 0.540233 -0.400693
C -2.819245 -1.125822 0.681259
C -1.918123 2.364697 1.896305
C 2.932004 -0.761563 0.227901
C -5.383066 -0.224100 -0.093019
C -3.967643 -1.890984 0.988807
C 3.184952 0.018573 1.368353
C 3.816511 -0.847403 -0.860184
C -5.252887 -1.447662 0.603674
C 4.385152 0.762270 1.404295
C 5.009052 -0.093234 -0.799531
C 5.306483 0.725217 0.323284
C 6.579938 1.549357 0.364507
H -0.903090 2.092930 -2.064525
H -2.583579 1.607882 -2.297972
H 0.404859 1.254243 0.022292
H -0.416824 0.163989 1.203703
H -1.893250 -0.804812 -2.570646
H -1.011007 0.231904 -3.729814
H 0.494614 -1.463390 -2.560664
H 1.000087 0.250395 -2.267800
H -4.355936 1.494462 -0.928690
H -1.836554 -1.507727 0.971246
H -2.357364 1.448865 2.326602
H -0.859027 2.412998 2.218469
H -2.433795 3.254194 2.290388
H -6.373653 0.137026 -0.391760
H -3.851873 -2.839358 1.525358
H 2.486036 0.008588 2.211207
H 3.595003 -1.509448 -1.703674
H -6.139403 -2.045500 0.843125
H 4.613531 1.370285 2.287234
H 5.721975 -0.149458 -1.630164
H 7.391037 1.072950 -0.212635
H 6.412578 2.553489 -0.071131
H 6.935049 1.696433 1.399048


