%chk=000113897.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113897

1 1
 S  -0.8937000       2.171600     -0.1302000    
 S   -3.307400     -0.3369000       1.662000    
 N  -0.2957000     -0.2184000     -0.5829000    
 C   0.9019000      0.3649000     -0.2207000    
 C    2.171600     -0.2641000     -0.1322000    
 C   0.7602000       1.716400      7.2400004E-02
 C   -1.334300      0.5876000     -0.5874000    
 C    3.283100      0.5226000      0.2617000    
 C    1.854300       2.498400      0.4625000    
 C    3.108100       1.883100      0.5511000    
 C  -0.5138000      -1.600900     -0.9494000    
 C    2.346300      -1.632700     -0.4240000    
 C   -2.659900      0.2475000     -0.9151000    
 C    4.544100     -8.7499999E-02  0.3522000    
 C   -3.643500     -0.2024000     -5.4099999E-02
 C    3.610000      -2.213400     -0.3261000    
 C    4.704700      -1.443800      6.0600001E-02
 C   -5.045800     -0.5419000     -0.5140000    
 C   -5.990200      0.6526000     -0.4555000    
 C   -3.600100      -2.102500       1.869000    
 H    1.741900       3.553600      0.6912000    
 H    3.958800       2.491800      0.8541000    
 H  -0.2922000      -2.250800     -9.7400002E-02
 H   -1.547100      -1.836400      -1.218200    
 H   5.7000000E-02  -1.838300      -1.852300    
 H    1.592800      -2.332700     -0.7249000    
 H   -2.924100      0.3357000      -1.967500    
 H    5.416900      0.4892000      0.6517000    
 H    3.743500      -3.268200     -0.5499000    
 H    5.687700      -1.900100      0.1360000    
 H   -5.002900     -0.8938000      -1.553200    
 H   -5.475200      -1.373600      5.2099999E-02
 H   -6.114300       1.011000      0.5716000    
 H   -6.977500      0.3712000     -0.8358000    
 H   -5.618100       1.483000      -1.064900    
 H   -3.180900      -2.419700       2.828200    
 H   -3.114000      -2.681100       1.078200    
 H   -4.669600      -2.326600       1.882900    


%chk=000113897-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113897

1 1
S -0.700707 2.458717 -0.542840
S -2.990549 -1.417566 1.121760
N -0.268857 -0.132868 -0.555440
C 1.024777 0.429342 -0.315306
C 2.274771 -0.257834 -0.073437
C 0.983901 1.841662 -0.346050
C -1.299636 0.770014 -0.636397
C 3.460884 0.582654 0.006351
C 2.139667 2.656495 -0.239476
C 3.364722 2.013570 -0.090975
C -0.477938 -1.543384 -0.966197
C 2.434953 -1.666505 0.142166
C -2.703853 0.529097 -0.849493
C 4.739952 -0.023239 0.220539
C -3.563301 -0.386909 -0.253262
C 3.699812 -2.222505 0.364054
C 4.866140 -1.403542 0.385747
C -5.030989 -0.392621 -0.630982
C -5.896996 0.456850 0.344211
C -4.380673 -2.660645 1.408935
H 2.068778 3.746241 -0.282169
H 4.283765 2.604845 -0.022893
H -0.598465 -2.200609 -0.089797
H -1.397677 -1.596131 -1.567536
H 0.375408 -1.862789 -1.581883
H 1.573273 -2.333369 0.175026
H -3.190652 1.266461 -1.501696
H 5.623658 0.622363 0.266996
H 3.791935 -3.300063 0.533145
H 5.848651 -1.855263 0.551179
H -5.135169 0.010127 -1.654631
H -5.417930 -1.427225 -0.660674
H -5.820995 0.097280 1.385419
H -6.956335 0.410108 0.039244
H -5.580052 1.513838 0.330675
H -4.042931 -3.249483 2.275137
H -4.500196 -3.317025 0.535162
H -5.318545 -2.145688 1.657189


