%chk=000147045.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147045

0 1
 O   0.9656000      0.9511000      -1.937900    
 O   0.4610000       1.938700       2.598200    
 N   0.7073000       1.486600      0.3155000    
 N    2.930200      -3.743500      0.4287000    
 C    2.856900      0.4883000     -0.5067000    
 C    3.442900       1.355400      0.6223000    
 C    3.705000      0.7174000      -1.780900    
 C    1.438900       1.009000     -0.7984000    
 C    2.607200       1.237300       1.880800    
 C    2.882900      -1.014400     -0.1744000    
 C  -0.6697000       1.886300      4.0899999E-02
 C    1.164000       1.603900       1.641800    
 C   -1.652700      0.7272000      0.1784000    
 C    3.724100       2.180700      -2.168100    
 C   -3.100900       1.151200     -8.6599998E-02
 C   -4.112400      1.6200000E-02  0.1035000    
 C    1.701200      -1.747100     -0.1620000    
 C    4.088300      -1.644700      0.1143000    
 C   -5.569300      0.3542000     -0.2274000    
 C   -6.520200     -0.8352000     -7.9800002E-02
 C    1.778100      -3.096600      0.1428000    
 C    4.058300      -2.998700      0.4068000    
 C   -7.970100     -0.4195000     -0.3323000    
 C   -8.916500      -1.603900     -0.2194000    
 H    4.480900       1.083600      0.8468000    
 H    3.446900       2.418100      0.3529000    
 H    4.741200      0.3838000      -1.646400    
 H    3.301900      0.1314000      -2.617800    
 H    2.639200      0.2247000       2.296100    
 H    3.007600       1.916800       2.642200    
 H  -0.7372000       2.311400     -0.9674000    
 H  -0.9526000       2.686700      0.7353000    
 H   -1.380600     -7.4299999E-02 -0.5187000    
 H   -1.577800      0.3003000       1.186200    
 H    2.745100       2.663600      -2.200300    
 H    4.149800       2.273900      -3.174500    
 H    4.379300       2.767000      -1.516300    
 H   -3.367400       1.978400      0.5826000    
 H   -3.180300       1.534400      -1.111400    
 H   -3.803800     -0.8312000     -0.5223000    
 H   -4.058300     -0.3329000       1.142500    
 H   0.7292000      -1.325600     -0.3802000    
 H    5.034100      -1.115300      0.1211000    
 H   -5.624400      0.7344000      -1.255000    
 H   -5.898100       1.169300      0.4290000    
 H   -6.430100      -1.254200      0.9298000    
 H   -6.230400      -1.623900     -0.7844000    
 H   0.8853000      -3.713100      0.1647000    
 H    4.971000      -3.536900      0.6402000    
 H   -8.268100      0.3502000      0.3890000    
 H   -8.062700      1.9500000E-02  -1.332500    
 H   -9.947200      -1.284400     -0.4026000    
 H   -8.871200      -2.048300      0.7800000    
 H   -8.665600      -2.377900     -0.9517000    


%chk=000147045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147045

0 1
O 0.951840 0.828571 -1.924846
O 0.333655 2.013655 2.529357
N 0.690784 1.479006 0.288197
N 3.154684 -3.817230 0.225564
C 2.936144 0.549314 -0.492343
C 3.473559 1.404926 0.682185
C 3.786687 0.765741 -1.795654
C 1.469775 0.960132 -0.779762
C 2.582199 1.270081 1.926944
C 2.972529 -0.974125 -0.189608
C -0.727411 1.844891 -0.007986
C 1.130554 1.617657 1.637235
C -1.697588 0.661616 0.192555
C 3.899331 2.225000 -2.285154
C -3.155612 1.077624 -0.103127
C -4.167607 -0.071319 0.105041
C 2.101357 -1.880108 -0.848817
C 3.943620 -1.540494 0.675881
C -5.626222 0.350751 -0.182002
C -6.649585 -0.787038 0.032512
C 2.225108 -3.266820 -0.611944
C 3.996836 -2.941941 0.849187
C -8.107362 -0.355878 -0.248546
C -9.126678 -1.495118 -0.031666
H 4.516225 1.127605 0.918002
H 3.498944 2.463509 0.367122
H 4.795829 0.351792 -1.601309
H 3.332652 0.153174 -2.594463
H 2.608025 0.235426 2.320992
H 2.911971 1.929787 2.747358
H -0.762617 2.192478 -1.053616
H -0.996118 2.670423 0.671979
H -1.404363 -0.170770 -0.476315
H -1.618943 0.298806 1.235269
H 2.901640 2.661280 -2.468715
H 4.453121 2.253272 -3.240865
H 4.442611 2.872356 -1.573443
H -3.433903 1.929494 0.551950
H -3.230450 1.445953 -1.147617
H -3.895771 -0.925053 -0.550070
H -4.091291 -0.442066 1.148285
H 1.340794 -1.517297 -1.547066
H 4.664744 -0.917822 1.214114
H -5.702159 0.719212 -1.226618
H -5.892757 1.209223 0.469785
H -6.573355 -1.158591 1.075927
H -6.389588 -1.645329 -0.622067
H 1.556543 -3.976845 -1.111746
H 4.742802 -3.390829 1.515271
H -8.364924 0.502022 0.405881
H -8.181971 0.016113 -1.290970
H -10.160188 -1.160185 -0.236977
H -9.091653 -1.864259 1.010836
H -8.910648 -2.352376 -0.697117


