%chk=000050105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050105

0 1
 S   -2.768200      0.5695000       2.479300    
 O    2.154100       2.315600     -0.2216000    
 O    1.772300      -2.434400      0.2597000    
 O    3.315700     -0.1986000     -0.2796000    
 N   -3.001600      0.3246000     -0.1447000    
 C   -4.249600     -0.3941000      -1.608800    
 C   -4.377200     -0.1582000     -0.1030000    
 C   -2.733000     -0.3001000      -1.435000    
 C   -2.132300      0.3615000      0.9244000    
 C  -0.7191000      0.2161000      0.6136000    
 C  -0.1378000      -1.051500      0.5845000    
 C   5.4699998E-02   1.344700      0.3425000    
 C    1.409700       1.205400      4.2399999E-02
 C    1.217300      -1.190500      0.2844000    
 C    1.991000     -6.1999999E-02  1.3300000E-02
 C    2.223400       2.741300      -1.581000    
 C    1.753000      -3.128200     -0.9861000    
 C    4.227600     -0.1612000      0.8157000    
 H   -4.623900      -1.356600      -1.968000    
 H   -4.677100      0.4072000      -2.222400    
 H   -5.112200      0.5991000      0.1804000    
 H   -4.512800      -1.072000      0.4844000    
 H   -2.231200      -1.269800      -1.371100    
 H   -2.223400      0.3528000      -2.147500    
 H  -0.7357000      -1.935200      0.7956000    
 H  -0.3935000       2.335400      0.3622000    
 H    1.226900       3.000000      -1.952900    
 H    2.667500       1.961000      -2.207200    
 H    2.856900       3.631200      -1.629400    
 H    2.307700      -2.569900      -1.746900    
 H   0.7226000      -3.292500      -1.317300    
 H    2.234400      -4.099700     -0.8449000    
 H    4.023800     -0.9783000       1.515000    
 H    4.167500      0.8007000       1.334600    
 H    5.240400     -0.2829000      0.4221000    


%chk=000050105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050105

0 1
S -2.830711 -1.339419 2.194977
O 1.480021 2.198847 -0.901630
O 2.225223 -2.430126 0.714968
O 3.316909 0.015599 -0.358498
N -3.215154 0.133582 -0.013281
C -4.787866 0.542652 -1.413307
C -4.701605 0.056503 0.077834
C -3.224220 0.631784 -1.435184
C -2.303972 -0.477730 0.794022
C -0.859146 -0.359885 0.429866
C 0.016017 -1.443930 0.695012
C -0.334528 0.822199 -0.154493
C 1.045009 0.944597 -0.435314
C 1.384151 -1.339329 0.391785
C 1.927233 -0.131132 -0.137849
C 2.360761 2.213681 -2.090748
C 2.917758 -3.047280 -0.439552
C 4.122137 0.030258 0.891627
H -5.206857 -0.205194 -2.102662
H -5.302053 1.504203 -1.558018
H -5.121614 0.735515 0.839783
H -5.053424 -0.968819 0.288294
H -2.699917 -0.044174 -2.133330
H -2.823545 1.652862 -1.550588
H -0.368792 -2.359122 1.152932
H -0.960814 1.698309 -0.340642
H 1.827029 1.791615 -2.964548
H 3.286430 1.646426 -1.902889
H 2.580944 3.277633 -2.266584
H 3.542436 -2.305915 -0.969359
H 2.177280 -3.485927 -1.135089
H 3.544505 -3.844105 -0.011132
H 3.969264 -0.905454 1.457574
H 3.840011 0.902331 1.508988
H 5.168998 0.119347 0.563735


