%chk=000239936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239936

0 1
O 3.587528 2.466021 -0.756306
N -0.803627 -0.689582 2.371868
N 2.032193 -0.076397 -0.751420
N -3.412416 0.481120 -0.531348
C 0.335943 -1.450668 0.340573
C -0.429142 -2.741991 0.371719
C 0.143905 -3.836193 -0.534650
C 0.520828 -3.268624 -1.905751
C 1.625518 -2.219881 -1.753881
C 1.316908 -1.201018 -0.684826
C 0.111953 -0.459507 1.289224
C 0.885134 0.768025 1.245323
C -2.250572 -0.767261 2.017128
C 1.841967 0.910421 0.203787
C -2.958229 0.594178 1.919412
C -2.750881 1.275758 0.556191
C 0.708443 1.821336 2.189136
C 2.619018 2.128738 0.149084
C -4.906015 0.638258 -0.479487
C -2.881168 0.865329 -1.883447
C 1.459892 2.971060 2.106017
C 2.422721 3.135033 1.086279
C -5.579271 -0.503941 -1.242171
C -1.446516 0.369376 -2.056989
C 3.982401 1.544616 -1.803982
H -1.487208 -2.526744 0.087372
H -0.472542 -3.116448 1.419697
H 1.034686 -4.290661 -0.057779
H -0.592996 -4.653392 -0.645387
H 0.858471 -4.077083 -2.580476
H -0.369034 -2.817491 -2.387408
H 1.808053 -1.710012 -2.723452
H 2.588606 -2.713165 -1.495764
H -0.659746 -0.020886 3.141283
H -2.728451 -1.386873 2.809038
H -2.383502 -1.320397 1.053316
H -2.618351 1.274924 2.721804
H -4.043846 0.440900 2.096181
H -1.658751 1.332410 0.337565
H -3.112299 2.325207 0.605026
H -0.027036 1.707267 2.982898
H -5.250569 1.618075 -0.874585
H -5.224172 0.597554 0.587767
H -2.931523 1.960374 -2.067842
H -3.527320 0.383101 -2.651866
H 1.325227 3.776257 2.828479
H 3.016485 4.045298 1.029566
H -5.392994 -0.442157 -2.320572
H -5.193895 -1.476829 -0.908672
H -6.662413 -0.496965 -1.086468
H -0.739089 0.915105 -1.418814
H -1.112186 0.482363 -3.092667
H -1.358723 -0.692232 -1.785544
H 3.137773 1.348717 -2.471752
H 4.362502 0.615151 -1.368959
H 4.774028 2.115525 -2.302470


%chk=000239936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239936

0 1
O 4.071828 2.167920 -0.902356
N -0.876893 -0.356061 1.943322
N 2.326824 -0.215166 -0.864875
N -3.873858 0.707438 -0.345062
C 0.436091 -1.431641 0.141193
C -0.306003 -2.760439 0.272039
C 0.472346 -3.946845 -0.335358
C 0.895502 -3.598751 -1.777097
C 1.894230 -2.424208 -1.753359
C 1.518762 -1.297593 -0.793144
C 0.153731 -0.332808 0.994719
C 0.990064 0.860491 0.924605
C -2.248750 -0.881441 1.771837
C 2.098851 0.846644 -0.009400
C -3.310396 0.205351 2.059573
C -3.391363 1.273762 0.943291
C 0.732475 2.032219 1.704585
C 2.967233 2.006750 -0.065059
C -5.355295 0.543861 -0.368278
C -3.375227 1.461438 -1.532280
C 1.573772 3.146460 1.603848
C 2.693711 3.130452 0.734688
C -5.826090 -0.556574 -1.338718
C -1.892922 1.195552 -1.852780
C 4.798136 1.034654 -1.503814
H -1.290219 -2.711579 -0.237844
H -0.522546 -2.943955 1.342297
H 1.374373 -4.165505 0.270969
H -0.162514 -4.853153 -0.316260
H 1.353807 -4.470442 -2.281048
H -0.005939 -3.324815 -2.361672
H 2.025162 -1.985268 -2.760173
H 2.895869 -2.794402 -1.454358
H -0.780087 0.311211 2.710518
H -2.422022 -1.754780 2.433252
H -2.389067 -1.202544 0.728225
H -3.099220 0.701112 3.031303
H -4.292875 -0.293012 2.176404
H -2.381238 1.691620 0.781882
H -4.036425 2.121292 1.286204
H -0.139571 2.092400 2.365529
H -5.863025 1.510835 -0.615918
H -5.684944 0.275089 0.652519
H -3.544393 2.561638 -1.408434
H -3.982714 1.149333 -2.401393
H 1.368368 4.044944 2.196011
H 3.364656 3.991001 0.655465
H -5.539515 -0.336112 -2.382749
H -5.376080 -1.526221 -1.062352
H -6.927512 -0.654789 -1.308035
H -1.217460 1.527684 -1.045206
H -1.599576 1.737209 -2.771366
H -1.721606 0.116341 -2.011610
H 4.213574 0.573901 -2.313053
H 5.022522 0.261212 -0.748861
H 5.729159 1.489389 -1.881371


