%chk=000155595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155595

0 1
 S    5.771500       1.508800     -0.2573000    
 N    3.067900       1.003800     -0.5592000    
 C  -0.9376000      -1.122700     -1.3600000E-02
 C   0.4395000     -0.8766000      0.2264000    
 C   -1.854100     -1.2600000E-02 -4.8900001E-02
 C   0.8898000      0.4311000      0.4249000    
 C   -1.357900       1.301200      0.1572000    
 C   4.6999999E-03   1.503600      0.3907000    
 C   -1.318500      -2.474500     -0.2053000    
 C    1.359200      -1.938500      0.2668000    
 C   -3.247200     -0.1378000     -0.2796000    
 C    2.330700      0.7548000      0.6826000    
 C   -2.226200       2.406000      0.1287000    
 C  -0.3935000      -3.521200     -0.1626000    
 C   0.9458000      -3.253000      7.3399998E-02
 C   -4.099500      0.9692000     -0.3051000    
 C   -3.588600       2.241500     -0.1011000    
 C    4.214000       1.216800     -0.4181000    
 H   0.3793000       2.515000      0.5438000    
 H   -2.354200      -2.745000     -0.3943000    
 H    2.423400      -1.794700      0.4252000    
 H   -3.703800      -1.110100     -0.4460000    
 H    2.371600       1.660400       1.308700    
 H    2.814700     -5.5999998E-03   1.308700    
 H   -1.845500       3.413500      0.2867000    
 H  -0.7255000      -4.544000     -0.3160000    
 H    1.668500      -4.062800      0.1023000    
 H   -5.161600      0.8311000     -0.4852000    
 H   -4.246700       3.104900     -0.1202000    


%chk=000155595-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155595

0 1
S 4.713856 0.958502 -2.271154
N 3.346667 0.697454 0.206190
C -0.837414 -1.081778 -0.011811
C 0.521796 -0.823664 0.405731
C -1.797929 0.023846 -0.091100
C 0.920005 0.534302 0.753503
C -1.361901 1.352118 0.257982
C 0.002339 1.566650 0.677224
C -1.201614 -2.425131 -0.334539
C 1.448337 -1.911642 0.475248
C -3.155892 -0.147459 -0.501253
C 2.338160 0.837281 1.233121
C -2.278597 2.446148 0.189282
C -0.277623 -3.474924 -0.255352
C 1.060409 -3.217173 0.152317
C -4.041292 0.937779 -0.563448
C -3.603163 2.247689 -0.215937
C 3.892356 0.834852 -0.866218
H 0.305509 2.589093 0.937159
H -2.223688 -2.651010 -0.652114
H 2.485192 -1.721047 0.768633
H -3.525052 -1.139572 -0.776990
H 2.377145 1.873512 1.620534
H 2.616004 0.170758 2.072015
H -1.926121 3.449013 0.458012
H -0.585068 -4.494797 -0.510418
H 1.784864 -4.036592 0.207731
H -5.076904 0.777646 -0.882632
H -4.300182 3.090746 -0.268115


