%chk=000164936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164936

0 1
 O   -3.039000       2.805100      0.2547000    
 O   -3.168600       1.604400      -1.714700    
 O   0.1131000      -2.279600      -2.503600    
 N  -0.4529000     -0.1853000       1.792700    
 N    2.333800      -1.104100      -1.296700    
 C   -2.226400     -0.7565000     -0.4635000    
 C   -2.315400      0.5754000      0.2949000    
 C   -1.746300      -1.878400      0.5062000    
 C  -0.9938000      0.9405000      0.9991000    
 C   -1.357900      -1.332800       1.901400    
 C   -1.444500     -0.6508000      -1.793500    
 C   8.1900001E-02   1.507200      3.7300002E-02
 C   -2.823900      -2.957600      0.6596000    
 C    1.162800      0.5566000     -0.3968000    
 C   -2.889100       1.698200     -0.5271000    
 C  -4.8999999E-02  -1.237700      -1.861700    
 C    1.061800     -0.5773000      -1.197500    
 C   2.1000000E-02  0.2498000       3.103500    
 C   -2.338700      -4.094500       1.534100    
 C    2.548000      0.6863000     -1.2500000E-02
 C    3.246100     -0.3670000     -0.5918000    
 C    3.270800       1.604200      0.7826000    
 C    4.622900     -0.5571000     -0.4264000    
 C   -3.578300       3.955200     -0.4046000    
 C    4.648400       1.431100      0.9609000    
 C    5.313300      0.3647000      0.3635000    
 H   -3.259300     -0.9847000     -0.7682000    
 H   -3.082300      0.4284000       1.073300    
 H  -0.8614000      -2.378500      0.1004000    
 H   -1.255000       1.762300       1.682500    
 H   -2.248800      -1.078600       2.490600    
 H  -0.8307000      -2.121600       2.451100    
 H   -1.362000      0.3611000      -2.194400    
 H   -2.028800      -1.195300      -2.550200    
 H   0.5589000       2.347700      0.5586000    
 H  -0.3617000       1.960700     -0.8554000    
 H   -3.077300      -3.358300     -0.3296000    
 H   -3.743500      -2.535000       1.081700    
 H  -0.7994000      0.6009000       3.739400    
 H   0.7523000       1.059500       3.004400    
 H   0.5317000     -0.5696000       3.621300    
 H   -1.363600      -4.469600       1.207200    
 H   -2.270700      -3.805000       2.586800    
 H   -3.047800      -4.927800       1.482000    
 H    2.559600      -1.938300      -1.820400    
 H    2.773100       2.442800       1.261200    
 H    5.139000      -1.390000     -0.8922000    
 H   -3.647300       4.764900      0.3265000    
 H   -4.581100       3.738300     -0.7848000    
 H   -2.916200       4.270500      -1.216700    
 H    5.202500       2.137500       1.573200    
 H    6.383200      0.2459000      0.5132000    


%chk=000164936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164936

0 1
O -2.959877 2.680693 0.332101
O -2.972776 1.649065 -1.752874
O 0.593490 -2.710419 -1.429466
N -0.451088 -0.664488 1.523163
N 2.694668 -0.981524 -0.933486
C -2.222085 -0.926720 -0.553265
C -2.290139 0.377809 0.276281
C -2.169831 -2.133966 0.442409
C -0.959031 0.645961 1.056402
C -1.486777 -1.693199 1.770241
C -1.087832 -0.960652 -1.632089
C 0.116239 1.477184 0.224519
C -3.579415 -2.721865 0.701987
C 1.334691 0.727559 -0.237760
C -2.754711 1.588360 -0.520810
C 0.298367 -1.479566 -1.236306
C 1.360060 -0.557871 -0.809403
C 0.553827 -0.545731 2.591604
C -3.578452 -3.962631 1.623001
C 2.714984 1.110677 -0.024906
C 3.546264 0.015611 -0.475612
C 3.338365 2.270476 0.513641
C 4.957643 0.066654 -0.412824
C -3.436067 3.926029 -0.319423
C 4.742294 2.320363 0.583368
C 5.543269 1.229822 0.123129
H -3.166218 -0.988570 -1.128861
H -3.077925 0.234407 1.045426
H -1.544766 -2.924844 -0.014385
H -1.225534 1.292507 1.927873
H -2.260225 -1.346091 2.505729
H -0.985311 -2.560207 2.235233
H -1.004250 0.036406 -2.100547
H -1.420506 -1.661973 -2.419489
H 0.444287 2.332367 0.842808
H -0.403189 1.928661 -0.644156
H -4.031094 -2.996791 -0.272280
H -4.234044 -1.937123 1.139131
H 0.139666 -0.095592 3.527818
H 1.393256 0.084323 2.250748
H 0.959334 -1.543087 2.834892
H -2.932031 -4.758674 1.208001
H -3.208333 -3.721047 2.636252
H -4.597418 -4.376970 1.731760
H 2.931019 -1.910310 -1.283355
H 2.737692 3.118622 0.862231
H 5.576822 -0.766102 -0.763544
H -3.540898 4.649113 0.501293
H -4.402134 3.747610 -0.820504
H -2.701398 4.273103 -1.065456
H 5.235898 3.208793 0.992485
H 6.634721 1.302037 0.188874


