%chk=000114691.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114691

0 1
 S  -0.4413000     -0.2841000       2.173500    
 P  -7.0000002E-03 -0.1445000      0.2637000    
 N    1.146300       1.003000     -0.1130000    
 N   -1.299400      0.2982000     -0.6982000    
 N   0.5372000      -1.546000     -0.4691000    
 C    2.417000      0.8827000      0.5808000    
 C    2.292300      0.5357000     -0.8740000    
 C   -1.834800       1.629500     -0.4737000    
 C   -2.586100      0.4074000     -3.3100002E-02
 C  -0.2242000      -2.782000     -0.3569000    
 H    2.557000      7.0000000E-02   1.280100    
 H    2.902100       1.813800      0.8400000    
 H    2.686300       1.244800      -1.592900    
 H    2.515600     -0.4912000      -1.118600    
 H   -2.185600       2.149600      -1.354800    
 H   -1.378800       2.251800      0.2839000    
 H   -2.746300      0.2802000       1.023900    
 H   -3.438000      0.1038000     -0.6314000    
 H   0.7454000      -1.433900      -1.462200    
 H   -1.216600      -2.673400     -0.8036000    
 H  -0.3355000      -3.084600      0.6876000    
 H   0.3007000      -3.587900     -0.8787000    


%chk=000114691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114691

0 1
S -0.606492 -0.463116 2.275634
P -0.175214 -0.171827 0.255494
N 1.201285 0.964373 0.031170
N -1.338539 0.649785 -0.830544
N 0.018689 -1.637225 -0.657716
C 2.563379 0.555362 0.535196
C 2.299807 0.636450 -0.960123
C -1.939101 1.959616 -0.373336
C -2.791930 0.703926 -0.398802
C 0.218068 -2.968288 -0.066036
H 2.674279 -0.441198 0.981454
H 3.112613 1.352714 1.044093
H 2.652593 1.494606 -1.539682
H 2.223722 -0.313173 -1.506064
H -2.031361 2.707671 -1.165964
H -1.635819 2.342756 0.608694
H -3.043427 0.251692 0.569899
H -3.507036 0.539930 -1.209804
H -0.281063 -1.577864 -1.634521
H -0.610239 -3.652869 -0.329912
H 0.227954 -2.868884 1.034758
H 1.174133 -3.421537 -0.390588


