%chk=000005356.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005356

0 1
 S   -2.612900      -1.110600     -0.1204000    
 S    4.173100     -0.1081000     -6.5200001E-02
 O   -2.708200      -1.259900      -1.560100    
 O   -2.105800      -2.192300      0.7025000    
 O    4.647500     -0.7868000       1.132800    
 O    4.526100     -0.6286000      -1.378800    
 N   -1.774100      0.3526000      0.2582000    
 N    4.632500       1.535800      1.4400000E-02
 C   -4.710900      0.6526000     -7.0200004E-02
 C   -4.221900     -0.6692000      0.5035000    
 C   -3.766900       1.807900      0.2620000    
 C   -2.365800       1.600900     -0.3076000    
 C  -0.3340000      0.2414000      0.1798000    
 C   0.2926000      0.2634000      -1.061500    
 C   0.4117000      0.1130000       1.346700    
 C    2.435300      2.6799999E-02  2.9600000E-02
 C    1.681300      0.1557000      -1.137000    
 C    1.800500      5.4000001E-03   1.271500    
 H   -4.819800      0.5724000      -1.158500    
 H   -5.705100      0.8733000      0.3350000    
 H   -4.151500     -0.6257000       1.595300    
 H   -4.903800      -1.482000      0.2350000    
 H   -4.183200       2.738400     -0.1409000    
 H   -3.709000       1.927600       1.351200    
 H   -2.392700       1.550000      -1.402000    
 H   -1.743300       2.459700     -2.9100001E-02
 H  -0.2788000      0.3618000      -1.980300    
 H  -7.5499997E-02  9.6799999E-02   2.317900    
 H    2.155100      0.1804000      -2.114400    
 H    2.368000     -8.7700002E-02   2.193100    
 H    5.001600       1.969600     -0.8406000    
 H    5.086800       1.862700      0.8758000    


%chk=000005356-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005356

0 1
S -2.701988 -1.202727 0.286088
S 4.288570 -0.040589 -0.217305
O -3.001086 -1.715813 -1.236966
O -1.972865 -2.178857 1.359548
O 4.740660 -1.266782 0.754173
O 4.690054 0.060523 -1.793343
N -1.750118 0.577485 0.279812
N 4.918425 1.505511 0.572409
C -4.854475 0.564014 0.011903
C -4.340381 -0.481784 1.005516
C -3.901586 1.771950 -0.157348
C -2.504221 1.412220 -0.709076
C -0.344598 0.413443 0.092162
C 0.344577 0.856983 -1.075256
C 0.386690 -0.202824 1.151160
C 2.423647 0.140124 -0.090215
C 1.744903 0.738549 -1.162919
C 1.782367 -0.351407 1.059468
H -5.032920 0.074589 -0.964712
H -5.838447 0.914996 0.379401
H -4.023994 -0.076080 1.978749
H -4.993993 -1.361381 1.121170
H -4.368572 2.494866 -0.852737
H -3.772188 2.285216 0.814516
H -2.586276 0.917018 -1.701157
H -1.924122 2.344210 -0.844607
H -0.205375 1.290168 -1.915332
H -0.151616 -0.555671 2.034092
H 2.294298 1.064202 -2.051896
H 2.356270 -0.843561 1.850579
H 5.468965 2.017532 -0.137614
H 5.478296 1.231179 1.397439


