%chk=000096780.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096780

0 1
 S   -1.552700     -0.1225000      -1.021600    
 N    4.990700     -1.6700000E-02 -0.1214000    
 C    3.590100      4.1999999E-03  4.5000002E-02
 C   0.8203000      4.5400001E-02  0.3754000    
 C  -0.6604000      6.7599997E-02  0.5519000    
 C    2.898100       1.213700     -1.7600000E-02
 C    2.897200      -1.184700      0.2727000    
 C    1.513200       1.234400      0.1478000    
 C    1.512300      -1.164200      0.4379000    
 C    5.794100       1.121200      0.2784000    
 C    5.645800      -1.182100     -0.6813000    
 C   -3.253500     -5.4900002E-02 -0.4715000    
 C   -3.910200       1.170300     -0.4042000    
 C   -3.911000      -1.228200     -0.1142000    
 C   -5.236500       1.222600      2.4499999E-02
 C   -5.237400      -1.175900      0.3143000    
 C   -5.900100      4.9600001E-02  0.3837000    
 H  -0.9681000     -0.7327000       1.235400    
 H  -0.9672000       1.008200       1.024600    
 H    3.405800       2.155600     -0.2054000    
 H    3.406500      -2.141800      0.3392000    
 H   0.9855000       2.183000      9.3400002E-02
 H   0.9844000      -2.097300      0.6165000    
 H    5.751000       1.911800     -0.4780000    
 H    6.846100      0.8395000      0.3999000    
 H    5.464000       1.527100       1.241400    
 H    6.646300     -0.9325000      -1.052100    
 H    5.087100      -1.586500      -1.532900    
 H    5.761400      -1.964100      7.6600000E-02
 H   -3.408200       2.094300     -0.6798000    
 H   -3.409900      -2.191700     -0.1616000    
 H   -5.752600       2.176700      7.8800000E-02
 H   -5.754300      -2.089200      0.5943000    
 H   -6.932800      9.0200000E-02  0.7175000    


%chk=000096780-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096780

0 1
S -1.566379 0.135202 -1.083039
N 5.068420 -0.044512 -0.130235
C 3.682504 -0.006284 0.058708
C 0.823021 0.071062 0.453956
C -0.665142 0.109776 0.645391
C 2.982376 1.237159 0.182073
C 2.909686 -1.209914 0.137774
C 1.589160 1.262900 0.371850
C 1.517623 -1.160154 0.327829
C 5.833349 1.204949 -0.214930
C 5.757112 -1.334192 -0.256026
C -3.317277 0.066512 -0.494054
C -4.038272 1.264371 -0.269696
C -3.946444 -1.185403 -0.288629
C -5.383583 1.208606 0.164144
C -5.291355 -1.238010 0.146252
C -6.011363 -0.041653 0.374480
H -1.049810 -0.783471 1.163378
H -1.002884 1.017076 1.171458
H 3.526091 2.184583 0.130262
H 3.395949 -2.185518 0.050415
H 1.082246 2.232336 0.457034
H 0.953894 -2.100211 0.376647
H 5.495094 1.839982 -1.059519
H 6.898649 0.973125 -0.371860
H 5.749501 1.804334 0.715047
H 6.835601 -1.161838 -0.398473
H 5.388089 -1.916971 -1.125170
H 5.629555 -1.960240 0.650977
H -3.546918 2.227755 -0.442808
H -3.385350 -2.106555 -0.479321
H -5.938911 2.138057 0.333729
H -5.775023 -2.209149 0.301164
H -7.054209 -0.083308 0.708791


