%chk=000091756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091756

0 1
 S    2.792600     -0.1084000      -1.812200    
 O    2.620900      0.9219000      -2.825800    
 O    3.762600      -1.172700      -2.020700    
 O    2.036900      -1.970400       1.140300    
 O    4.259500      -2.297800      0.6391000    
 O   -4.132900       2.264300      0.3742000    
 O   8.8100001E-02   1.136600     -0.9965000    
 N    1.267700     -0.8094000      -1.468700    
 N  -0.9588000     -0.9408000     -0.7947000    
 N   -3.115600      -1.624300     -0.1705000    
 N   -2.531000      0.7026000     -0.2144000    
 N   -4.743600      3.3300001E-02  0.4290000    
 N   -5.285100      -2.248000      0.4636000    
 C    3.177600      0.6603000     -0.2870000    
 C    3.392400     -8.8900000E-02  0.8698000    
 C    3.268500       2.051700     -0.2438000    
 C    3.698000      0.5534000       2.069900    
 C    3.574200       2.693700      0.9563000    
 C    3.788900       1.944600       2.113000    
 C    3.306000      -1.543200      0.8642000    
 C   9.4700001E-02 -8.6199999E-02  -1.069400    
 C   -2.266000     -0.6043000     -0.3728000    
 C   -4.335400      -1.230100      0.2289000    
 C   -3.788800      0.9460000      0.1878000    
 C   -3.120000       3.227300      0.1210000    
 C    1.824000      -3.385900       1.164700    
 C   -3.683500       4.611200      0.3631000    
 C   -4.992100      -3.636500      0.2915000    
 H    3.106500       2.663800      -1.125900    
 H    1.227100      -1.835900      -1.438700    
 H    3.867300     -1.9099999E-02   2.978500    
 H    3.644800       3.777000      0.9903000    
 H    4.026700       2.444700       3.047300    
 H  -0.7924000      -1.937600     -0.9026000    
 H   -2.268000       3.066400      0.7927000    
 H   -2.782500       3.158900     -0.9203000    
 H   -6.207300      -1.956600      0.7651000    
 H    2.071800      -3.821900      0.1923000    
 H    2.423000      -3.842700       1.957800    
 H   0.7660000      -3.566800       1.371700    
 H   -4.543900       4.796900     -0.2883000    
 H   -4.038800       4.708000       1.394500    
 H   -2.927800       5.379600      0.1769000    
 H   -4.184100      -3.957400      0.9572000    
 H   -4.711200      -3.857800     -0.7432000    
 H   -5.876700      -4.234900      0.5307000    


%chk=000091756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091756

0 1
S 2.668422 -0.886774 -1.515226
O 2.568221 -0.200109 -2.972131
O 3.558636 -2.226438 -1.316122
O 2.727885 -1.943542 1.378784
O 4.765301 -1.456491 2.409057
O -4.149113 2.178583 0.811868
O 0.029492 0.732428 -1.255182
N 0.972349 -1.409545 -1.026273
N -1.323894 -1.205892 -0.912796
N -3.598300 -1.590058 -0.704688
N -2.667620 0.553057 -0.021200
N -5.061217 0.155207 0.197543
N -5.915530 -1.921981 -0.437764
C 3.165217 0.490821 -0.275390
C 3.701098 0.217627 1.002748
C 3.058454 1.782460 -0.810763
C 4.183711 1.328023 1.746519
C 3.517161 2.870445 -0.034625
C 4.088346 2.639097 1.237362
C 3.825334 -1.128083 1.651998
C -0.106248 -0.498004 -1.067526
C -2.574309 -0.700535 -0.533381
C -4.827739 -1.105466 -0.312593
C -3.948018 0.920131 0.311467
C -2.947547 3.068367 0.928766
C 2.846852 -3.361713 1.806658
C -3.474021 4.420144 1.397197
C -5.852089 -3.283188 -0.976615
H 2.636092 1.921492 -1.810146
H 0.984472 -2.233613 -0.416104
H 4.631405 1.132357 2.726043
H 3.435544 3.887327 -0.430825
H 4.460705 3.479222 1.832295
H -1.354624 -2.184921 -1.210782
H -2.245485 2.610719 1.648279
H -2.446194 3.114318 -0.053454
H -6.803013 -1.514595 -0.141540
H 3.330429 -3.919145 0.987309
H 3.446311 -3.432779 2.727765
H 1.817219 -3.709963 1.975264
H -4.186005 4.840104 0.666466
H -3.987225 4.329447 2.369788
H -2.631670 5.126990 1.510310
H -5.202282 -3.928373 -0.358444
H -5.446712 -3.286088 -2.004077
H -6.869501 -3.706470 -0.989939


