%chk=000051367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051367

0 1
 O   -6.471600      0.5248000     -0.3277000    
 O    4.969300      -1.519600     -0.3627000    
 N    4.150800      0.6425000      9.9600002E-02
 N   -5.615200     -0.4898000      1.8500000E-02
 C  -6.0999999E-03  0.1598000      6.5499999E-02
 C   -1.443500     -6.8000001E-03  5.2499998E-02
 C   0.5482000       1.415000      0.3157000    
 C   0.8250000     -0.9347000     -0.1736000    
 C    2.765000      0.4814000      8.7899998E-02
 C   -2.264300       1.052200     -0.3338000    
 C   -2.007100      -1.226100      0.4275000    
 C    1.933700       1.575800      0.3269000    
 C    2.210600     -0.7740000     -0.1623000    
 C   -4.214100     -0.3274000      2.9700000E-02
 C   -3.649900      0.8920000     -0.3451000    
 C   -3.392600      -1.386500      0.4162000    
 C    5.136700     -0.3295000     -0.1165000    
 C    6.525200      0.2508000     -1.8300001E-02
 H  -5.7999998E-02   2.289100      0.5373000    
 H   0.4374000      -1.923500     -0.4035000    
 H   -1.869200       2.009400     -0.6631000    
 H   -1.409500      -2.068400      0.7651000    
 H    2.352600       2.558200      0.5299000    
 H    2.789000      -1.665000     -0.3627000    
 H   -4.267800       1.729900     -0.6569000    
 H   -3.821200      -2.339200      0.7169000    
 H    4.476400       1.588000      0.2898000    
 H   -6.030200      -1.369500      0.2985000    
 H    6.661400       1.014700     -0.7890000    
 H    7.268000     -0.5383000     -0.1645000    
 H    6.672100      0.6971000      0.9693000    
 H   -6.907900      0.1577000      -1.115100    


%chk=000051367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051367

0 1
O -6.563995 0.615505 -0.067162
O 5.109672 -1.501483 -0.306969
N 4.238093 0.641074 0.107049
N -5.749057 -0.611580 -0.142713
C -0.020053 0.100974 0.024111
C -1.498387 -0.063877 0.001279
C 0.580102 1.366680 0.276158
C 0.854478 -0.997358 -0.204491
C 2.832771 0.410439 0.068946
C -2.357718 0.992639 -0.409266
C -2.112770 -1.286024 0.397194
C 1.976785 1.521771 0.297457
C 2.256000 -0.862756 -0.184103
C -4.347000 -0.380741 -0.043374
C -3.757742 0.847056 -0.436169
C -3.509087 -1.447871 0.382557
C 5.283415 -0.269795 -0.073037
C 6.672722 0.363287 0.034010
H -0.053394 2.234544 0.490069
H 0.431706 -1.981589 -0.435844
H -1.923218 1.942211 -0.742286
H -1.490439 -2.112245 0.758443
H 2.407772 2.510372 0.505513
H 2.909097 -1.717028 -0.369147
H -4.400141 1.676461 -0.742871
H -3.950878 -2.399854 0.702563
H 4.514258 1.608836 0.291463
H -6.124345 -1.262224 0.561716
H 6.834227 1.110753 -0.765119
H 7.426380 -0.430210 -0.069909
H 6.816516 0.865024 1.009050
H -6.992571 0.657108 -0.963118


