%chk=000040302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040302

0 1
 S    2.959200       1.252300     -0.3043000    
 N    1.504700     -0.8208000      0.2147000    
 N    3.839500      -1.180000      0.3160000    
 C  -0.7736000      7.0200004E-02 -2.1299999E-02
 C   0.6526000      0.2314000     -5.5700000E-02
 C   -1.589200       1.147600      0.3250000    
 C   -1.343800      -1.163900     -0.3341000    
 C    1.254600       1.434100     -0.3579000    
 C   -2.974800      0.9910000      0.3588000    
 C   -2.729600      -1.320400     -0.3004000    
 C   -3.544900     -0.2430000      4.6000000E-02
 C    2.745400     -0.3984000      0.1132000    
 H   -1.182000       2.119300      0.5924000    
 H  -0.7297000      -2.017200     -0.6117000    
 H   0.8162000       2.388500     -0.6147000    
 H   -3.610000       1.828400      0.6324000    
 H   -3.174000      -2.280800     -0.5448000    
 H   -4.623800     -0.3651000      7.2899997E-02
 H    3.757100      -2.160300      0.5646000    
 H    4.781700     -0.8139000      0.2279000    


%chk=000040302-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040302

0 1
S 3.128698 1.375914 0.101183
N 1.525580 -0.776155 -0.004031
N 3.852801 -1.337665 -0.012469
C -0.788316 0.150687 0.021317
C 0.677133 0.356647 0.039933
C -1.703364 1.239350 0.050461
C -1.306786 -1.172461 -0.027069
C 1.336427 1.577740 0.097556
C -3.093930 1.009963 0.032497
C -2.699161 -1.399749 -0.045021
C -3.601166 -0.311042 -0.015249
C 2.803293 -0.449198 0.018433
H -1.332767 2.270086 0.086151
H -0.597042 -2.004645 -0.049863
H 0.923061 2.582016 0.140026
H -3.784373 1.860815 0.055272
H -3.080442 -2.426572 -0.082363
H -4.682656 -0.486428 -0.029096
H 3.639090 -2.331311 -0.056376
H 4.819520 -1.028992 -0.002292


