%chk=000080956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080956

0 1
 O  -0.3859000       1.889600     -9.0200000E-02
 N   0.1512000     -0.4017000      0.1120000    
 N    5.680100      0.4509000     -6.9999998E-04
 C  -0.3736000      -1.770700      0.2381000    
 C    1.585000     -0.1801000      8.3400004E-02
 C  -0.7352000      0.7051000      1.8200001E-02
 C   -2.168600      0.4630000      5.2800000E-02
 C    2.054200      0.8935000     -0.6222000    
 C    2.383500      -1.058900      0.7624000    
 C  -0.5779000      -2.408100      -1.125800    
 C    3.432600       1.105500     -0.6509000    
 C    3.761800     -0.8467000      0.7339000    
 C    4.286400      0.2354000      2.7200000E-02
 C   -2.845800      0.4572000       1.272200    
 C   -2.866500      0.2367000      -1.133600    
 C   -4.220900      0.2252000       1.305200    
 C   -4.241500      4.9000001E-03  -1.100600    
 C   -4.918800     -8.9999998E-04  0.1187000    
 H   0.2552000      -2.415800      0.8510000    
 H   -1.332400      -1.758300      0.7633000    
 H    1.451100       1.545700      -1.240500    
 H    2.031800      -1.885700       1.364200    
 H   -1.227500      -1.821200      -1.776500    
 H   0.3804000      -2.524700      -1.643400    
 H   -1.021100      -3.402900      -1.014500    
 H    3.831600       1.940600      -1.221200    
 H    4.416800      -1.525300       1.274500    
 H   -2.312000      0.6320000       2.202900    
 H   -2.353000      0.2523000      -2.091400    
 H   -4.748300      0.2206000       2.254600    
 H   -4.785400     -0.1681000      -2.024600    
 H   -5.989600     -0.1807000      0.1443000    
 H    6.061000       1.234200     -0.5145000    
 H    6.299800     -0.1808000      0.4890000    


%chk=000080956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080956

0 1
O -0.374516 1.676709 0.951892
N 0.064508 -0.487711 0.154210
N 5.684454 0.485191 -0.169411
C -0.387771 -1.901091 0.029288
C 1.492385 -0.238737 0.099864
C -0.802700 0.560880 0.515448
C -2.292043 0.358959 0.350118
C 1.992176 0.901444 -0.579885
C 2.421380 -1.129119 0.691055
C -0.053589 -2.530600 -1.336953
C 3.372410 1.144232 -0.666403
C 3.808477 -0.898729 0.601231
C 4.310978 0.246362 -0.077835
C -3.141527 0.809096 1.393278
C -2.870562 -0.120150 -0.854014
C -4.543684 0.741727 1.252538
C -4.274450 -0.167372 -1.002932
C -5.115365 0.252177 0.053751
H 0.078283 -2.499139 0.837062
H -1.472435 -1.930114 0.211080
H 1.290586 1.611579 -1.025563
H 2.072815 -2.010609 1.239812
H -0.558160 -1.991909 -2.158789
H 1.032494 -2.507350 -1.531180
H -0.386473 -3.584461 -1.358598
H 3.731910 2.037564 -1.191635
H 4.505815 -1.605567 1.067422
H -2.687246 1.224163 2.298988
H -2.224784 -0.429991 -1.683555
H -5.190227 1.080583 2.069612
H -4.709943 -0.525030 -1.942707
H -6.204444 0.210200 -0.059866
H 6.037120 1.316536 -0.633644
H 6.352628 -0.137923 0.273623


