%chk=000163762.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163762

0 1
 S   -1.581500      0.8303000      0.4322000    
 O   -1.873700       2.105500     -0.1985000    
 O   -1.929800      0.5880000       1.821300    
 N   4.7800001E-02  0.4384000      0.1830000    
 C   0.7431000     -0.4890000       1.075000    
 C    1.092100      0.9753000       1.054800    
 C    1.709200      -1.459600      0.4486000    
 C    2.388400       1.389000      0.4097000    
 C    2.941900      -1.027200     -0.1201000    
 C    3.290100      0.4325000     -0.1398000    
 C   -2.350300     -0.4403000     -0.5438000    
 C    1.386000      -2.832600      0.4375000    
 C    2.719400       2.759400      0.3612000    
 C    3.790200      -2.014200     -0.6663000    
 C    4.489400      0.9161000     -0.7052000    
 C    2.244000      -3.779200     -0.1114000    
 C    3.909300       3.202500     -0.2060000    
 C   -3.833300     -0.2557000     -0.4463000    
 C    3.447400      -3.369000     -0.6618000    
 C    4.795000       2.279500     -0.7373000    
 C   -4.491300      0.5550000      -1.366700    
 C   -4.544800     -0.8957000      0.5646000    
 C   -5.872500      0.7271000      -1.275500    
 C   -5.926000     -0.7238000      0.6556000    
 C   -6.590000      8.7600000E-02 -0.2646000    
 H   0.1537000     -0.8346000       1.917000    
 H   0.7099000       1.578400       1.872100    
 H   -2.043300      -1.416200     -0.1546000    
 H   -2.001900     -0.3461000      -1.577100    
 H   0.4443000      -3.166500      0.8692000    
 H    2.032600       3.493500      0.7783000    
 H    4.745300      -1.760600      -1.116600    
 H    5.224900      0.2473000      -1.142400    
 H    1.973100      -4.830400     -0.1068000    
 H    4.141800       4.262600     -0.2301000    
 H    4.125700      -4.099900      -1.092700    
 H    5.727800       2.614200      -1.182000    
 H   -3.943900       1.057700      -2.159300    
 H   -4.039100      -1.530900       1.286800    
 H   -6.389600       1.358800      -1.991900    
 H   -6.484600      -1.221700       1.442700    
 H   -7.665400      0.2215000     -0.1937000    


%chk=000163762-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163762

0 1
S -1.671928 0.217204 0.861909
O -1.816711 1.775622 1.330635
O -2.040404 -0.971936 1.919906
N 0.146888 -0.080094 0.162647
C 1.031383 -0.679522 1.295674
C 1.148398 0.791468 0.976934
C 2.094539 -1.605559 0.825440
C 2.321003 1.269151 0.199118
C 3.153038 -1.122772 -0.008769
C 3.266521 0.331971 -0.327637
C -2.616621 -0.078236 -0.878746
C 2.038161 -2.967559 1.204022
C 2.479259 2.657041 -0.024950
C 4.114080 -2.067894 -0.462879
C 4.338483 0.848559 -1.106686
C 3.004258 -3.885249 0.745274
C 3.552309 3.146397 -0.796173
C -4.083052 0.083294 -0.713117
C 4.041396 -3.427664 -0.100901
C 4.479314 2.229975 -1.345787
C -4.688205 1.359032 -0.879601
C -4.894368 -1.032996 -0.371505
C -6.081486 1.510683 -0.724378
C -6.287388 -0.878598 -0.216797
C -6.883918 0.392283 -0.395499
H 0.470209 -0.980436 2.189885
H 0.668316 1.514619 1.648957
H -2.264042 -1.092807 -1.114402
H -2.113020 0.679113 -1.496847
H 1.220187 -3.305729 1.850760
H 1.743410 3.350667 0.398233
H 4.940489 -1.747711 -1.103874
H 5.084351 0.171884 -1.533531
H 2.949036 -4.939604 1.035971
H 3.663122 4.221446 -0.972699
H 4.796780 -4.129035 -0.471803
H 5.315067 2.592678 -1.954123
H -4.063355 2.226358 -1.121445
H -4.429217 -2.013837 -0.221060
H -6.541505 2.496080 -0.854319
H -6.906971 -1.742574 0.046169
H -7.966405 0.511288 -0.274906


