%chk=000270970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270970

0 1
O -0.522016 2.204516 1.253057
O 5.380767 -2.324204 -0.279086
N -2.839841 1.373853 -0.847187
N -1.072422 0.174908 0.280656
N 5.367574 -0.270221 0.777502
C -3.113854 -1.021224 -0.295820
C -2.968632 -1.735873 -1.659215
C -2.713689 -2.088773 0.746932
C -3.274007 -3.219842 -1.384757
C -3.144378 -3.434615 0.137594
C -2.282320 0.262575 -0.242718
C -4.140478 1.373196 -1.580817
C -2.208988 2.725866 -0.871212
C -4.230875 2.739005 -2.282690
C -3.200589 3.650464 -1.593152
C -0.176636 1.130463 0.762906
C 1.253617 0.707561 0.741374
C 1.673953 -0.516201 0.200526
C 2.204285 1.584480 1.294332
C 3.024836 -0.863695 0.196430
C 3.555174 1.253930 1.299590
C 3.968179 0.020151 0.745428
C 5.995937 -1.431863 0.264661
C 7.487285 -1.442297 0.460738
H -4.186421 -0.762157 -0.116454
H -3.640167 -1.307385 -2.420070
H -1.937008 -1.621800 -2.042633
H -1.618997 -2.077526 0.924723
H -3.183719 -1.897597 1.723032
H -4.287013 -3.484732 -1.730654
H -2.576705 -3.871079 -1.937991
H -2.407630 -4.222102 0.368206
H -4.102823 -3.772596 0.566147
H -4.976374 1.234230 -0.861258
H -4.174710 0.536451 -2.312174
H -2.001475 3.068550 0.176605
H -1.230666 2.675139 -1.394110
H -5.248480 3.158603 -2.213939
H -4.003068 2.640971 -3.359438
H -2.685383 4.299461 -2.321197
H -3.696753 4.324879 -0.871321
H 0.936709 -1.208093 -0.219301
H 1.863951 2.533090 1.723342
H 3.342715 -1.820794 -0.230277
H 4.275860 1.942693 1.730266
H 5.953895 0.441019 1.220065
H 7.773634 -1.417538 1.520436
H 7.910099 -2.370643 0.038920
H 7.986342 -0.607406 -0.048295


%chk=000270970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270970

0 1
O -0.667148 1.904907 1.665287
O 5.584612 -2.083809 -0.729403
N -2.813622 1.363499 -0.854159
N -1.108185 0.082872 0.232545
N 5.382541 -0.214527 0.682002
C -3.182996 -1.046961 -0.378335
C -2.786973 -1.972382 -1.572657
C -3.038412 -1.998586 0.836153
C -3.413841 -3.353518 -1.222310
C -3.611380 -3.353703 0.333787
C -2.319575 0.213023 -0.290068
C -4.085855 1.458113 -1.635062
C -2.059476 2.652839 -0.887729
C -3.917954 2.759602 -2.451692
C -3.049342 3.649260 -1.528306
C -0.268535 0.930442 0.923389
C 1.192726 0.581683 0.842177
C 1.673314 -0.513964 0.081992
C 2.128026 1.389636 1.538283
C 3.048406 -0.808342 0.000614
C 3.502198 1.109308 1.470570
C 3.976598 0.009572 0.701127
C 6.110746 -1.200033 0.007223
C 7.620477 -1.112749 0.243213
H -4.247252 -0.760584 -0.480423
H -3.122305 -1.587190 -2.553886
H -1.683220 -2.038848 -1.598011
H -1.964978 -2.081009 1.082419
H -3.557873 -1.617784 1.733442
H -4.384430 -3.483914 -1.735628
H -2.760596 -4.179159 -1.556218
H -3.103626 -4.207417 0.816465
H -4.685823 -3.436723 0.582260
H -4.953096 1.527812 -0.948247
H -4.223536 0.574340 -2.280490
H -1.742105 2.928206 0.133795
H -1.144496 2.524654 -1.501911
H -4.889183 3.215242 -2.707459
H -3.377668 2.546214 -3.392413
H -2.530092 4.455328 -2.072445
H -3.676819 4.114398 -0.745996
H 0.945677 -1.142288 -0.441301
H 1.745660 2.230209 2.126427
H 3.416304 -1.652481 -0.584527
H 4.216043 1.742035 2.015259
H 5.932175 0.440807 1.243776
H 7.868336 -1.242776 1.313202
H 8.110424 -1.911574 -0.331457
H 8.024828 -0.137881 -0.087574


