%chk=000019108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019108

0 1
 S  -0.8602000     -0.7748000      0.6544000    
 S    2.602500      0.6262000      0.8803000    
 O  -0.7500000      -2.193300     -0.1391000    
 O  -0.7702000      -1.052600       2.074300    
 O   -6.317500       1.198700     -0.3950000    
 N    3.502500      -1.092400     -0.7935000    
 N   0.1116000      5.4699998E-02 -0.2258000    
 N    2.136300      -1.041900      -1.008300    
 C    6.024200       1.014700     -0.1235000    
 C    5.263300     -8.8600002E-02  0.6378000    
 C    7.435400       1.161100      0.4518000    
 C    6.109500      0.7278000      -1.624900    
 C    3.844700     -0.2756000      0.1533000    
 C   -2.492000     -0.1852000      0.3402000    
 C    1.547200     -0.1853000     -0.2015000    
 C   -3.446700      -1.057200     -0.1603000    
 C   -2.797000       1.142400      0.5990000    
 C   -5.058300      0.7428000     -0.1520000    
 C   -4.737600     -0.5904000     -0.4078000    
 C   -4.087900       1.609100      0.3514000    
 C   -7.259700      0.2597000     -0.9109000    
 H    5.501700       1.970600      1.0300000E-02
 H    5.264900      0.1327000       1.713000    
 H    5.790200      -1.045500      0.5244000    
 H    7.979500       1.967300     -5.1600002E-02
 H    7.396400       1.402100       1.519400    
 H    8.011900      0.2373000      0.3329000    
 H    6.720800       1.484400      -2.129000    
 H    6.559900     -0.2518000      -1.817800    
 H    5.121200      0.7493000      -2.094600    
 H   -3.224100      -2.100700     -0.3592000    
 H   -2.050300       1.824800      0.9946000    
 H   -5.442700      -1.316900     -0.7969000    
 H   -4.331900       2.648500      0.5533000    
 H  -0.7605000      -2.132400      -1.123400    
 H   -8.206900      0.7926000      -1.044800    
 H   -7.447900     -0.5530000     -0.2010000    
 H   -6.959700     -0.1113000      -1.896800    


%chk=000019108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019108

0 1
S -1.022409 -2.023160 0.389560
S 2.669054 0.279990 1.570131
O -0.322621 -2.614375 -0.993868
O -1.500829 -3.050550 1.548365
O -5.751679 1.285937 -1.366427
N 3.397892 -1.470485 -0.327540
N 0.114045 -0.715985 1.184527
N 2.023597 -1.603300 -0.134955
C 5.637683 1.325922 0.141470
C 5.354992 -0.163845 0.511686
C 7.136413 1.635123 0.359344
C 5.202863 1.635307 -1.308171
C 3.907630 -0.547893 0.463723
C -2.485451 -0.985655 -0.121952
C 1.384631 -0.801103 0.806388
C -3.533500 -0.832286 0.796934
C -2.499480 -0.424842 -1.413354
C -4.694922 0.515750 -0.881262
C -4.656751 -0.069080 0.412572
C -3.619831 0.332120 -1.792952
C -6.905195 1.508824 -0.485817
H 5.046673 1.967350 0.828951
H 5.755915 -0.365633 1.525087
H 5.891805 -0.826375 -0.193201
H 7.356685 2.692551 0.126372
H 7.442908 1.446324 1.405257
H 7.766986 1.007502 -0.299243
H 5.389087 2.696638 -1.553903
H 5.771302 1.014239 -2.026639
H 4.127868 1.432645 -1.463915
H -3.481172 -1.310473 1.780147
H -1.669797 -0.600325 -2.104900
H -5.482010 0.059529 1.117656
H -3.689754 0.786256 -2.785163
H 1.458346 -2.249135 -0.721172
H -7.596303 2.128107 -1.075022
H -6.607954 2.049662 0.432795
H -7.394117 0.552625 -0.218810


