%chk=000054805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054805

0 1
 S   -1.881900      -1.438000     -0.8295000    
 S  -0.3017000      -2.541000     -0.1467000    
 O   -1.385500       2.163500     -0.7219000    
 O    3.158100      0.3770000       1.355500    
 O    3.185100      0.5825000     -0.9146000    
 N   0.3936000      0.8716000     -0.2817000    
 C   -1.949900      3.8199998E-02  0.2720000    
 C    1.204000     -0.2409000      0.2035000    
 C  -0.9625000       1.089200     -0.2718000    
 C    1.109700      -1.511000     -0.6362000    
 C   -1.787400     -0.2527000       1.766400    
 C   -3.389800      0.5791000      8.5100003E-02
 C    2.608200      0.2825000      0.1201000    
 H   0.9727000     -0.4229000       1.254500    
 H    1.059900      -1.294500      -1.709700    
 H    2.002200      -2.128500     -0.4813000    
 H   0.9143000       1.644800     -0.6876000    
 H  -0.8545000     -0.7448000       2.035900    
 H   -1.817000      0.6819000       2.339800    
 H   -2.599000     -0.8897000       2.138300    
 H   -3.541800       1.490000      0.6779000    
 H   -3.604500      0.8437000     -0.9582000    
 H   -4.145600     -0.1460000      0.4117000    
 H    4.077800      0.7165000       1.322100    


%chk=000054805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054805

0 1
S -1.959613 -1.556143 -0.770746
S -0.163470 -2.640550 0.072270
O -1.481817 2.163351 -0.875803
O 3.525035 -0.367467 0.904119
O 2.973439 1.526485 -0.325387
N 0.331661 0.908025 -0.296203
C -2.045199 0.081963 0.281551
C 1.212844 -0.128714 0.255695
C -1.048607 1.103423 -0.326946
C 1.208277 -1.487715 -0.509265
C -1.830477 -0.187236 1.782346
C -3.489707 0.561968 0.009421
C 2.633942 0.459118 0.226802
H 0.987909 -0.340211 1.318364
H 1.107383 -1.325942 -1.593690
H 2.132673 -2.049229 -0.288290
H 0.839596 1.687892 -0.738397
H -0.903893 -0.745813 1.994205
H -1.803841 0.773594 2.329836
H -2.668933 -0.789020 2.173031
H -3.648286 1.538029 0.499700
H -3.674407 0.712380 -1.066943
H -4.210063 -0.171121 0.410863
H 4.440054 0.023435 0.877067


