%chk=000157083.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157083

0 1
 O   0.4458000       1.126400      0.8683000    
 N    1.408900     -0.8262000      7.8999996E-03
 N  -0.9357000     -0.6792000      0.3685000    
 C    2.758500     -0.2979000     -5.4900002E-02
 C   -2.194100     -0.1164000      0.1532000    
 C   0.3140000     -2.4300000E-02  0.4485000    
 C   -4.582300     -0.3693000     -0.1105000    
 C   -3.324400     -0.9323000      0.1052000    
 C   -2.321700       1.262400     -1.4600000E-02
 C    1.190700      -2.195400     -0.4841000    
 C    2.914000       1.039000     -0.2999000    
 C    3.797500      -1.167000      0.1357000    
 C   -4.709800       1.009600     -0.2781000    
 C   -3.579500       1.825500     -0.2302000    
 C   -5.791200      -1.241200     -0.1613000    
 C    4.211800       1.547100     -0.3591000    
 C    5.095200     -0.6590000      7.6399997E-02
 C    5.302300      0.6980000     -0.1710000    
 H  -0.9336000      -1.691600      0.4497000    
 H   -3.227500      -2.007700      0.2375000    
 H   -1.479800       1.943800     -1.3500000E-02
 H    2.002000      -2.525100      -1.140200    
 H   0.2775000      -2.248700      -1.084400    
 H    1.102700      -2.866500      0.3754000    
 H    2.105400       1.723000     -0.5258000    
 H    3.664800      -2.220200      0.3590000    
 H   -5.684200       1.460600     -0.4461000    
 H   -3.679000       2.898400     -0.3663000    
 H   -5.551000      -2.223400     -0.5825000    
 H   -6.196800      -1.379900      0.8457000    
 H   -6.569900     -0.8031000     -0.7950000    
 H    4.374500       2.600500     -0.5684000    
 H    5.944500      -1.318700      0.2288000    
 H    6.312800       1.093000     -0.2196000    


%chk=000157083-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157083

0 1
O 0.393983 1.421800 -0.134104
N 1.416031 -0.698476 -0.407369
N -0.923434 -0.521813 -0.122513
C 2.768117 -0.249181 -0.178679
C -2.232903 0.040078 -0.076023
C 0.299950 0.161657 -0.217763
C -4.656188 -0.436930 0.071720
C -3.315851 -0.878145 0.026751
C -2.497999 1.432381 -0.131378
C 1.218631 -2.111511 -0.797283
C 3.184457 1.082973 -0.451825
C 3.724513 -1.182331 0.310219
C -4.912068 0.958686 0.008059
C -3.840070 1.870054 -0.092157
C -5.801385 -1.429755 0.183644
C 4.527824 1.457010 -0.235150
C 5.067101 -0.797124 0.511274
C 5.479805 0.526380 0.240186
H -0.895306 -1.535818 -0.011109
H -3.108162 -1.956979 0.070557
H -1.667807 2.136930 -0.190166
H 2.131611 -2.476570 -1.292360
H 0.396847 -2.190219 -1.530425
H 1.008060 -2.781801 0.063045
H 2.455644 1.809556 -0.810961
H 3.421954 -2.204125 0.562530
H -5.945774 1.323045 0.040781
H -4.045044 2.945902 -0.135388
H -5.437241 -2.470299 0.239184
H -6.409624 -1.237118 1.087195
H -6.480667 -1.356882 -0.686451
H 4.831173 2.487816 -0.450732
H 5.785236 -1.532059 0.892309
H 6.520987 0.827069 0.398683


