%chk=000212411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212411

0 1
O 4.293787 0.379913 -0.093611
O 3.930457 -1.864396 0.092649
N -0.129252 0.289170 0.675246
N -3.756117 0.269910 -0.330752
N 2.637320 -0.344936 1.320145
C -1.322511 0.507708 -0.206343
C -2.575481 -0.012013 0.538244
C 0.369150 -1.121884 0.565545
C 0.968054 1.255684 0.338235
C 1.540941 -1.332540 1.544883
C 2.140117 1.059300 1.321690
C -4.460126 1.536564 0.046751
C -4.620310 -0.915504 -0.617216
C -5.388667 1.972796 -1.096551
C -5.229732 1.479886 1.377688
C -3.855638 -1.853931 -1.566418
C -5.106207 -1.689354 0.621513
C 3.617950 -0.724000 0.380679
C 5.508113 0.121346 -0.906109
C 6.251088 1.442574 -0.801214
C 5.063513 -0.235110 -2.313687
H -1.240736 0.017877 -1.199450
H -1.442793 1.593295 -0.409474
H -2.471906 -1.099744 0.736818
H -2.645069 0.469994 1.537107
H 0.681481 -1.395676 -0.465670
H -0.464894 -1.804062 0.840014
H 0.566837 2.286126 0.451858
H 1.330243 1.159917 -0.707934
H 1.196534 -1.199161 2.596136
H 1.945950 -2.366125 1.451391
H 2.974955 1.753374 1.075624
H 1.809695 1.285259 2.362203
H -3.651302 2.313470 0.147688
H -5.526702 -0.533105 -1.162364
H -6.259938 1.315800 -1.195196
H -5.757263 2.990074 -0.934120
H -4.857766 1.956612 -2.056991
H -4.557014 1.290348 2.220684
H -5.984471 0.682371 1.377198
H -5.747601 2.422998 1.575855
H -3.002033 -2.332265 -1.076532
H -4.508606 -2.644892 -1.946124
H -3.462712 -1.296769 -2.426147
H -5.701252 -1.044646 1.281730
H -4.275855 -2.086761 1.213116
H -5.733530 -2.538064 0.332572
H 6.056048 -0.716921 -0.420322
H 5.653384 2.274016 -1.197006
H 6.478585 1.686443 0.245049
H 7.194890 1.412400 -1.356737
H 4.377287 0.513739 -2.726014
H 4.534947 -1.201121 -2.319468
H 5.915560 -0.320984 -2.996459


%chk=000212411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212411

0 1
O 4.627275 0.507266 -0.150220
O 4.260879 -1.767817 0.347298
N -0.263693 0.331887 0.284854
N -4.063244 0.155757 -0.078539
N 2.548097 -0.178591 0.567028
C -1.597043 0.463998 -0.354784
C -2.739624 -0.153518 0.492481
C 0.258069 -1.058905 0.258494
C 0.736205 1.265402 -0.293132
C 1.567175 -1.162566 1.063046
C 2.056441 1.211128 0.500994
C -4.640554 1.465136 0.326244
C -4.982485 -0.978285 -0.357501
C -5.457036 2.114353 -0.816932
C -5.467601 1.434670 1.646189
C -4.484745 -1.795165 -1.576089
C -5.257292 -1.925756 0.849724
C 3.832125 -0.581207 0.264959
C 6.036741 0.167101 -0.544759
C 6.826628 1.465670 -0.360971
C 6.045735 -0.369654 -1.983535
H -1.627217 0.011587 -1.377552
H -1.804835 1.544098 -0.477842
H -2.613723 -1.250757 0.535731
H -2.626981 0.215778 1.537292
H 0.442536 -1.403207 -0.791942
H -0.486615 -1.736958 0.711135
H 0.329775 2.292680 -0.245052
H 0.949800 1.029122 -1.367414
H 1.351437 -0.958353 2.131447
H 2.012118 -2.166529 0.973646
H 2.823943 1.841120 0.029323
H 1.869770 1.580388 1.530294
H -3.765570 2.122434 0.508065
H -5.950291 -0.521547 -0.641927
H -6.376820 1.541573 -1.040074
H -5.767303 3.138634 -0.537652
H -4.851108 2.163188 -1.738398
H -4.889717 0.970955 2.466941
H -6.405649 0.863876 1.514634
H -5.740634 2.460927 1.957072
H -3.499308 -2.254444 -1.368844
H -5.189763 -2.611836 -1.821428
H -4.375720 -1.139292 -2.456966
H -5.623916 -1.366912 1.727444
H -4.343792 -2.473614 1.148700
H -6.019121 -2.680469 0.577257
H 6.386808 -0.619071 0.149721
H 6.440066 2.256433 -1.028480
H 6.756685 1.822431 0.680898
H 7.891561 1.296251 -0.602856
H 5.626056 0.378968 -2.679409
H 5.455093 -1.298465 -2.050616
H 7.081786 -0.594891 -2.297592


