%chk=000006223.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006223

0 1
 S  -0.5156000       1.207100       2.058900    
 S   -1.978800     -0.2472000       2.028100    
 O    2.298500      -2.437900      -1.046500    
 O  -0.5624000      -2.205200     -0.6239000    
 O   -1.590700       2.919500     -0.7971000    
 O   -2.818000      -2.774600      0.7131000    
 N   0.1888000     -3.4000002E-02 -0.2500000    
 N   -2.383000      0.7337000     -0.5055000    
 C  -0.1463000       1.295300      0.2688000    
 C    1.592600     -0.1599000     -0.6440000    
 C    1.069300       2.172000     -5.0999999E-02
 C   -2.134800     -0.5420000      0.2074000    
 C    2.158300       1.149700     -0.1447000    
 C  -0.7719000      -1.040300     -0.2982000    
 C   -1.416300       1.755900     -0.4416000    
 C    2.338500      -1.388200     -7.7900000E-02
 C   -3.205900      -1.618000     -1.3000000E-03
 C    3.408700       1.273800      0.3175000    
 C    3.798200      -1.115000      0.2029000    
 C   -3.612500      0.9277000      -1.263500    
 C    4.283300      0.1277000      0.3486000    
 H    1.597900     -0.1729000      -1.741700    
 H    1.260500       2.949200      0.6959000    
 H   0.9698000       2.659700      -1.028500    
 H    1.870300      -1.762900      0.8399000    
 H   -3.295800      -1.891200      -1.058500    
 H   -4.190500      -1.297800      0.3569000    
 H    3.773600       2.208000      0.7291000    
 H    4.472300      -1.961900      0.2972000    
 H   -3.634200       1.918900      -1.724500    
 H   -4.468000      0.8382000     -0.5891000    
 H   -3.669200      0.1783000      -2.057000    
 H    5.333700      0.2932000      0.5605000    
 H    1.364300      -2.640700      -1.221800    
 H   -3.503400      -3.448200      0.5647000    


%chk=000006223-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006223

0 1
S -0.682670 1.325019 1.989976
S -2.030437 -0.542833 1.967494
O 2.182567 -2.679986 -0.568047
O -0.537890 -2.286767 -0.696040
O -1.645002 2.886776 -1.066387
O -2.996488 -2.827452 0.490520
N 0.192743 -0.086299 -0.334027
N -2.478619 0.732343 -0.605610
C -0.196031 1.260265 0.075231
C 1.666236 -0.237990 -0.562087
C 1.051569 2.136802 -0.142075
C -2.176103 -0.563721 -0.045754
C 2.183453 1.131505 -0.113653
C -0.764654 -1.059733 -0.401674
C -1.483592 1.725749 -0.604120
C 2.352357 -1.426945 0.159797
C -3.235283 -1.651668 -0.329885
C 3.476547 1.278031 0.276832
C 3.849705 -1.164321 0.253523
C -3.868940 1.134989 -0.909465
C 4.365454 0.096989 0.314282
H 1.837153 -0.391215 -1.651860
H 1.149978 2.927520 0.618750
H 0.942447 2.644065 -1.122033
H 1.931347 -1.505837 1.191937
H -3.212992 -1.890198 -1.414483
H -4.237068 -1.295052 -0.049708
H 3.866589 2.254088 0.587348
H 4.476415 -2.059667 0.321070
H -3.830510 2.175493 -1.266798
H -4.493480 1.088074 0.001248
H -4.306325 0.499805 -1.697141
H 5.443240 0.250773 0.435178
H 1.196114 -2.818728 -0.695595
H -2.106531 -3.189877 0.216453


