%chk=000057223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057223

0 1
 S  -0.7669000      5.0200000E-02 -0.6891000    
 S   0.7698000      4.8400000E-02  0.6749000    
 O   -5.431100      0.9688000      0.1684000    
 O    5.431000      0.9694000     -0.1540000    
 N   -3.590300     -0.3247000      0.7445000    
 N    3.588300     -0.3143000     -0.7499000    
 N   -6.530600      -1.199000      -1.120200    
 N    6.526300      -1.208900       1.120400    
 C   -2.720500      0.7536000       1.157000    
 C    2.724200      0.7616000      -1.154300    
 C   -1.875900       1.306600      1.7300000E-02
 C    1.875100       1.304600     -1.3000000E-02
 C   -4.882600     -0.1252000      0.2812000    
 C    4.883300     -0.1239000     -0.2780000    
 C   -5.572400      -1.432900     -4.9199998E-02
 C    5.572400      -1.434100      4.3900002E-02
 H   -2.096800      0.3779000       1.975000    
 H   -3.339600       1.560100       1.566300    
 H    2.103100      0.3948000      -1.978400    
 H    3.343400       1.572900      -1.553900    
 H   -2.530800       1.646700     -0.7925000    
 H   -1.298000       2.176500      0.3461000    
 H    1.299900       2.177900     -0.3378000    
 H    2.528000       1.639900      0.8006000    
 H   -3.223300      -1.269800      0.8055000    
 H    3.221500      -1.258900     -0.8201000    
 H   -6.077400      -1.800800      0.8492000    
 H   -4.843000      -2.181000     -0.3750000    
 H    6.080700      -1.794300     -0.8558000    
 H    4.841300      -2.184500      0.3602000    
 H   -7.007100      -2.072400      -1.341900    
 H   -7.255000     -0.5582000     -0.7976000    
 H    7.002200      -2.084000       1.336800    
 H    7.251800     -0.5652000      0.8059000    


%chk=000057223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057223

0 1
S -0.685418 -0.054097 -0.919994
S 0.683741 -0.067526 0.902972
O -5.646234 0.875317 0.324884
O 5.643171 0.880295 -0.295477
N -3.639641 -0.303296 0.440019
N 3.642145 -0.302861 -0.452362
N -6.967390 -1.279932 -0.755761
N 6.959220 -1.287325 0.766460
C -2.819858 0.868047 0.768125
C 2.822408 0.871408 -0.769909
C -1.917239 1.301209 -0.397000
C 1.917937 1.292553 0.398339
C -5.005267 -0.217594 0.239178
C 5.005114 -0.215965 -0.234445
C -5.710618 -1.552584 -0.060774
C 5.711529 -1.553179 0.052861
H -2.196656 0.661749 1.659225
H -3.519423 1.688201 1.011099
H 2.200823 0.673545 -1.663971
H 3.521759 1.694476 -1.003493
H -2.505839 1.490186 -1.312760
H -1.336847 2.203624 -0.143541
H 1.339127 2.198623 0.154350
H 2.505237 1.470310 1.317156
H -3.157124 -1.187465 0.262983
H 3.160739 -1.191114 -0.294037
H -5.835344 -2.070760 0.922811
H -5.036570 -2.191096 -0.670544
H 5.849374 -2.055686 -0.937065
H 5.032597 -2.203192 0.644838
H -7.685570 -2.000357 -0.674211
H -7.302875 -0.325116 -0.586838
H 7.680903 -2.003880 0.682220
H 7.293091 -0.328716 0.617162


