%chk=000163948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163948

0 1
 O    4.085200      -1.446400     -0.6031000    
 O    3.463700       1.807700      0.6455000    
 N   -1.292800       1.479500     -0.2950000    
 N    3.254600     -0.3852000     -0.1489000    
 C  -0.9280000     -0.6916000      5.9799999E-02
 C  -0.3024000      0.5338000     -0.1716000    
 C   -2.339400     -0.4548000      7.2499998E-02
 C   -2.535100      0.9080000     -0.1517000    
 C    1.088300      0.6714000     -0.2472000    
 C  -0.1238000      -1.838900      0.2244000    
 C    1.863400     -0.4795000     -8.1500001E-02
 C   -3.470800      -1.277800      0.2546000    
 C    1.268400      -1.717100      0.1511000    
 C   -3.806100       1.491900     -0.2036000    
 C   -4.748200     -0.7085000      0.2053000    
 C   -4.911100      0.6562000     -2.0800000E-02
 C    3.964500      0.7647000      0.2250000    
 C    5.469600      0.6865000      8.5299999E-02
 H   -1.129800       2.461800     -0.4679000    
 H    1.500000       1.643200     -0.4902000    
 H  -0.5732000      -2.810900      0.4075000    
 H   -3.360100      -2.343900      0.4316000    
 H    1.873800      -2.610600      0.2850000    
 H   -3.933700       2.554800     -0.3795000    
 H   -5.621800      -1.339600      0.3449000    
 H   -5.911900       1.078800     -5.5500001E-02
 H    5.864100     -0.1197000      0.7098000    
 H    5.741400      0.5195000     -0.9606000    
 H    5.918100       1.628900      0.4135000    
 H    4.012200      -1.317600      -1.564500    


%chk=000163948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163948

0 1
O 4.014205 -1.514681 -0.192968
O 3.620115 2.038092 0.183544
N -1.358677 1.573698 -0.166292
N 3.300922 -0.248551 -0.124173
C -0.949332 -0.684572 0.031036
C -0.339231 0.611004 -0.097192
C -2.392920 -0.479224 0.035476
C -2.610920 0.938631 -0.088450
C 1.053334 0.806503 -0.142900
C -0.108273 -1.814934 0.131712
C 1.868417 -0.351967 -0.048024
C -3.508168 -1.344606 0.130397
C 1.289232 -1.652425 0.096088
C -3.905707 1.496853 -0.118760
C -4.807309 -0.793750 0.101072
C -5.001492 0.610958 -0.022077
C 4.122048 0.884703 0.030850
C 5.621095 0.631019 -0.008768
H -1.210329 2.576877 -0.247791
H 1.508576 1.793825 -0.224278
H -0.530867 -2.818527 0.249763
H -3.368513 -2.427277 0.225143
H 1.943867 -2.517901 0.217435
H -4.063618 2.576789 -0.212882
H -5.679772 -1.452025 0.173693
H -6.020488 1.013440 -0.041899
H 5.929431 -0.074081 0.781419
H 5.934953 0.193336 -0.973133
H 6.124488 1.598792 0.133106
H 3.904033 -1.825400 -1.136946


