%chk=000116205.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116205

0 1
 S   -3.065400      -1.479300     -0.1320000    
 O    1.414000      0.7692000     -0.1632000    
 O   -4.474100      -1.075900      0.5842000    
 O   -2.537200      -2.667500      0.5130000    
 O   -3.238000      -1.410300      -1.571700    
 N   0.1011000      0.9456000      0.4488000    
 C  -0.6629000     -0.2256000      2.8999999E-02
 C  -0.4310000       2.160900     -0.1608000    
 C   -2.130200     -7.8199998E-02  0.3959000    
 C   0.3771000       3.376100      0.2870000    
 C    1.996800     -0.4043000      0.3865000    
 C    3.369800     -0.6102000     -0.2375000    
 C    4.049400      -1.867300      0.2980000    
 C  -0.1709000       4.659300     -0.3180000    
 C    5.401500      -2.092600     -0.3593000    
 H  -0.3507000      -1.119200      0.5766000    
 H  -0.5586000     -0.4236000      -1.046000    
 H   -1.454400       2.357200      0.1718000    
 H  -0.4398000       2.092900      -1.256600    
 H   -2.620000      0.7664000     -9.5799997E-02
 H   -2.252600      1.3700000E-02   1.480600    
 H    1.428200       3.278700     -9.2000002E-03
 H   0.3568000       3.460000       1.380600    
 H    1.452700      -1.315500      0.1296000    
 H    2.081100     -0.3119000       1.476000    
 H    3.993900      0.2708000     -4.1999999E-02
 H    3.268000     -0.6685000      -1.328700    
 H    3.415100      -2.742700      0.1161000    
 H    4.184400      -1.784200       1.382700    
 H  -0.1345000       4.624300      -1.411500    
 H   -1.209000       4.826200     -1.3200000E-02
 H   0.4215000       5.517700      1.3900000E-02
 H    5.296200      -2.214600      -1.442000    
 H    6.073900      -1.249200     -0.1721000    
 H    5.871300      -2.996800      4.0300000E-02
 H   -4.489000      -1.156400       1.566900    


%chk=000116205-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116205

0 1
S -3.696382 -1.399645 -0.055137
O 1.170011 0.274481 -0.665406
O -4.499670 -1.439934 1.631534
O -3.112141 -2.862312 -0.426029
O -4.672469 -0.644477 -1.103126
N -0.119110 0.709769 -0.008378
C -1.182346 -0.201852 -0.533359
C -0.319014 2.127489 -0.434870
C -2.278140 -0.244608 0.539129
C 0.643662 3.088118 0.282307
C 2.044330 -0.353757 0.350906
C 3.353068 -0.710435 -0.363698
C 4.361019 -1.401591 0.585502
C 0.417053 4.554253 -0.144870
C 5.687139 -1.753768 -0.122203
H -0.737542 -1.202745 -0.655672
H -1.585430 0.121533 -1.518147
H -1.366647 2.391206 -0.183496
H -0.206386 2.216687 -1.539099
H -2.795346 0.710237 0.716594
H -1.942650 -0.703004 1.480295
H 1.681653 2.785041 0.050250
H 0.508397 2.980949 1.375510
H 1.552795 -1.261986 0.758710
H 2.212497 0.358252 1.182922
H 3.801484 0.212502 -0.780137
H 3.130131 -1.375138 -1.220792
H 3.905529 -2.324417 0.998545
H 4.567547 -0.739750 1.451101
H 0.567901 4.681810 -1.233271
H -0.609546 4.890622 0.094853
H 1.120720 5.229876 0.373400
H 5.511442 -2.435000 -0.975740
H 6.180787 -0.844918 -0.514470
H 6.392262 -2.251068 0.568440
H -5.352106 -1.957219 1.555800


