%chk=000079301.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079301

0 1
 S    5.256200      0.9847000      1.4100000E-02
 N    7.304600     -0.9963000      6.5499999E-02
 C   -1.253900     -0.4036000     -9.4499998E-02
 C   -2.557000      0.3978000     -4.8700001E-02
 C  -3.4400001E-02  0.5200000     -5.2400000E-02
 C   -3.778300     -0.5247000     -5.2700002E-02
 C    1.299300     -0.2323000     -2.3300000E-02
 C   -5.078800      0.2781000      2.6200000E-02
 C    2.520500      0.6921000     -5.7999999E-03
 C   -6.334100     -0.5963000     -5.2999998E-03
 C    3.814400     -0.1180000     -1.1500000E-02
 C   -7.626400      0.1915000      0.1439000    
 C    6.467900     -0.1930000      4.4700000E-02
 H   -1.217400      -1.093900      0.7570000    
 H   -1.223200      -1.012000      -1.006300    
 H   -2.572800       1.020700      0.8540000    
 H   -2.603200       1.075000     -0.9101000    
 H  -9.6600004E-02   1.163300      0.8343000    
 H  -5.4800000E-02   1.183100     -0.9261000    
 H   -3.723900      -1.215400      0.7974000    
 H   -3.777100      -1.133000     -0.9652000    
 H    1.324600     -0.8826000      0.8600000    
 H    1.355800     -0.8883000     -0.9010000    
 H   -5.119000      0.9898000     -0.8078000    
 H   -5.078700      0.8720000      0.9487000    
 H    2.483800       1.351100     -0.8824000    
 H    2.474400       1.329200      0.8863000    
 H   -6.363900      -1.154500     -0.9486000    
 H   -6.280100      -1.337700      0.8008000    
 H    3.849100     -0.7735000      0.8658000    
 H    3.861100     -0.7464000     -0.9079000    
 H   -7.733800      0.9210000     -0.6650000    
 H   -8.488500     -0.4820000      0.1129000    
 H   -7.647800      0.7295000       1.096800    


%chk=000079301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079301

0 1
S 5.356212 1.035972 0.014729
N 7.600532 -0.860512 -0.112195
C -1.255882 -0.387381 -0.012628
C -2.580776 0.407298 0.020423
C -0.003202 0.516821 0.014367
C -3.834600 -0.495520 -0.005591
C 1.319909 -0.282020 -0.025912
C -5.160685 0.297218 0.026418
C 2.567505 0.636143 0.007646
C -6.414350 -0.606956 0.000303
C 3.862061 -0.185588 -0.041359
C -7.734833 0.192523 0.032637
C 6.669193 -0.105657 -0.061470
H -1.225242 -1.083570 0.851462
H -1.232169 -1.021335 -0.923607
H -2.605400 1.042061 0.930900
H -2.612714 1.103341 -0.843830
H -0.024631 1.146161 0.928155
H -0.036454 1.215420 -0.847212
H -3.803498 -1.191295 0.859063
H -3.810194 -1.130944 -0.915757
H 1.351537 -0.982210 0.833912
H 1.342951 -0.906197 -0.942702
H -5.194410 0.992856 -0.838232
H -5.187628 0.932557 0.936548
H 2.532193 1.334707 -0.851253
H 2.545362 1.250634 0.929097
H -6.386425 -1.241303 -0.909252
H -6.379865 -1.301760 0.864263
H 3.967928 -0.853930 0.827745
H 3.958845 -0.760082 -0.976139
H -7.806018 0.874780 -0.835551
H -8.615021 -0.476019 0.009965
H -7.802233 0.809184 0.948859


