%chk=000206634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206634

0 1
O 0.571204 0.581147 -0.269967
O 0.680793 -1.060336 1.348042
N 4.948792 -0.133409 -0.234269
N 2.420384 0.478446 1.064284
C 3.904294 0.672791 -0.950012
C 4.304163 -1.138942 0.674844
C 3.040351 1.417865 0.086804
C 3.433973 -0.405883 1.714703
C -4.060440 -1.176098 0.482888
C -3.038117 -0.376567 -0.333524
C 5.838205 -0.819621 -1.217480
C 1.189283 -0.131347 0.762618
C -5.392836 -1.357192 -0.268107
C -4.319960 -0.404256 1.791677
C -3.487341 -2.572373 0.793955
C -1.706825 -0.323923 0.119549
C -0.778702 0.412654 -0.609112
C -3.388612 0.323743 -1.495845
C -1.107679 1.113225 -1.781761
C -2.431657 1.057012 -2.210073
H 3.257421 0.063499 -1.617556
H 4.424900 1.415041 -1.593442
H 5.112452 -1.692166 1.201575
H 3.696188 -1.895591 0.133431
H 3.669415 2.126845 0.674964
H 2.248594 2.014789 -0.419269
H 2.922194 -1.136687 2.381381
H 4.066718 0.249274 2.357900
H 5.333055 -1.530960 -1.887367
H 6.628204 -1.359487 -0.670016
H 6.342647 -0.058883 -1.835570
H -6.096215 -1.954725 0.322327
H -5.880240 -0.398204 -0.472213
H -5.248771 -1.875560 -1.222121
H -4.704977 0.601393 1.592321
H -5.051374 -0.922029 2.419923
H -3.403776 -0.291139 2.382384
H -4.206142 -3.183721 1.348049
H -3.229832 -3.110217 -0.124745
H -2.575594 -2.515055 1.401427
H -1.406093 -0.862627 1.023217
H -4.412997 0.310352 -1.861954
H -0.349986 1.674509 -2.318480
H -2.727365 1.591015 -3.113077


%chk=000206634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206634

0 1
O 0.437161 0.450498 -0.519840
O 0.624302 -1.305145 1.075009
N 5.252626 0.019967 -0.038552
N 2.441907 0.062446 0.516252
C 4.310921 0.658604 -0.988777
C 4.608751 -1.118591 0.660560
C 3.058111 1.167574 -0.246700
C 3.365209 -0.638252 1.432909
C -4.263653 -1.095551 0.597482
C -3.266314 -0.361199 -0.331990
C 6.530023 -0.355669 -0.674247
C 1.131999 -0.353397 0.424867
C -5.724301 -1.001901 0.086901
C -4.205622 -0.469061 2.023347
C -3.868743 -2.601583 0.681245
C -1.890638 -0.335364 0.029794
C -0.955917 0.311552 -0.802922
C -3.664181 0.278665 -1.531976
C -1.351573 0.949280 -2.000469
C -2.713404 0.927413 -2.355562
H 3.993041 -0.050132 -1.797132
H 4.818200 1.515974 -1.469198
H 5.332752 -1.552722 1.374779
H 4.304400 -1.925602 -0.054694
H 3.361863 1.963846 0.461838
H 2.322687 1.576770 -0.952476
H 2.827049 -1.484771 1.887486
H 3.681107 0.062674 2.230622
H 6.417236 -1.122260 -1.482085
H 7.218285 -0.762007 0.088386
H 7.002199 0.539739 -1.116788
H -6.393406 -1.539057 0.783903
H -6.071800 0.046483 0.029443
H -5.841356 -1.464244 -0.910650
H -4.482537 0.600905 1.994691
H -4.909894 -0.992449 2.697352
H -3.195622 -0.546489 2.463210
H -4.555470 -3.138118 1.363176
H -3.925991 -3.078515 -0.314652
H -2.839373 -2.732680 1.058786
H -1.541076 -0.831047 0.936158
H -4.714557 0.277385 -1.835670
H -0.599237 1.444695 -2.621259
H -3.037467 1.417940 -3.280255


