%chk=000299543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299543

0 1
O 5.794559 0.624435 0.249920
O 4.873442 3.298418 0.578699
O -3.302380 -2.368612 -0.328931
O -0.345644 -3.567528 1.508528
N 1.314063 -1.028745 -0.016558
N 0.324604 1.626802 0.183596
N -4.229770 0.086319 -0.315966
C 1.920302 -2.376786 -0.258437
C -0.061933 -0.827538 0.057601
C 2.217788 0.062410 0.125074
C 2.463752 -3.007643 1.029865
C -0.504693 0.607086 0.071584
C 1.693144 1.375152 0.249309
C -1.027719 -1.823587 0.062531
C 3.130537 -4.356391 0.731843
C 3.625321 -0.114524 0.125879
C -1.915905 0.909758 -0.051594
C -2.427104 -1.528366 -0.160875
C -2.854269 -0.060998 -0.169560
C 2.565665 2.489363 0.411778
C 4.472777 0.974267 0.273882
C 3.929016 2.302292 0.427934
C -0.799898 -3.253529 0.428008
C 3.681600 -4.992087 2.005692
C -1.206317 -4.277809 -0.587372
C -5.012902 1.272366 -0.306503
C -6.357024 1.132608 -0.734986
C -4.544415 2.526445 0.118538
C 6.795040 1.663478 0.420575
C 4.384019 4.652855 0.756597
C -7.197525 2.241318 -0.738108
C -5.406385 3.626638 0.105102
C -6.728700 3.494406 -0.321183
H 2.736910 -2.258540 -1.012151
H 1.177264 -3.041651 -0.751356
H 1.638341 -3.151449 1.768699
H 3.178335 -2.328802 1.533830
H 3.946921 -4.228599 -0.005157
H 2.395508 -5.044036 0.266239
H 4.078306 -1.103505 0.020558
H -2.172725 1.976949 -0.047931
H 2.106920 3.474708 0.515583
H 2.886270 -5.162785 2.743448
H 4.145399 -5.962484 1.796445
H 4.438646 -4.359995 2.483069
H -4.748810 -0.800929 -0.454101
H -0.843182 -5.278874 -0.327171
H -2.315101 -4.330250 -0.626921
H -0.886003 -4.028126 -1.603416
H -6.734200 0.166567 -1.063560
H -3.517539 2.653951 0.468239
H 6.720770 2.392926 -0.393267
H 6.674208 2.144793 1.397023
H 7.724659 1.084462 0.364788
H 3.783409 4.724107 1.668489
H 3.825584 4.974595 -0.127627
H 5.322112 5.213753 0.856916
H -8.230598 2.133052 -1.069273
H -5.035671 4.597201 0.435886
H -7.392284 4.354890 -0.328744


%chk=000299543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299543

0 1
O 5.882284 0.686243 0.051861
O 4.946346 3.396799 0.358560
O -3.407817 -2.291839 -0.259316
O -0.272402 -3.518668 1.565960
N 1.331467 -0.978151 0.065888
N 0.374222 1.700099 0.227881
N -4.208969 0.163991 -0.318537
C 1.918546 -2.327267 -0.201859
C -0.061242 -0.761537 0.121862
C 2.244679 0.096697 0.145466
C 2.565800 -3.013631 1.022320
C -0.489673 0.660466 0.123030
C 1.723764 1.432522 0.268291
C -1.052894 -1.778490 0.089930
C 3.120476 -4.405859 0.644305
C 3.651228 -0.075467 0.090441
C -1.875173 1.002490 0.006555
C -2.451094 -1.425412 -0.125594
C -2.847037 0.024663 -0.139548
C 2.624333 2.533295 0.371205
C 4.532593 1.015868 0.182122
C 4.009740 2.354241 0.321442
C -0.823740 -3.229297 0.460995
C 3.796362 -5.104525 1.843389
C -1.329691 -4.318287 -0.466708
C -5.061732 1.287034 -0.318541
C -6.350389 1.121977 -0.906180
C -4.730799 2.540765 0.267765
C 6.919283 1.436291 0.794043
C 4.420613 4.764012 0.450421
C -7.273663 2.183994 -0.921139
C -5.664447 3.598949 0.241654
C -6.935505 3.436478 -0.353917
H 2.664700 -2.198388 -1.009213
H 1.125246 -2.967232 -0.616454
H 1.806906 -3.120398 1.815223
H 3.382610 -2.388587 1.428861
H 3.848687 -4.311989 -0.188785
H 2.290070 -5.038825 0.271893
H 4.124771 -1.051869 -0.010562
H -2.085652 2.071188 -0.013483
H 2.165713 3.521635 0.448108
H 3.078402 -5.238225 2.673085
H 4.181998 -6.101661 1.563223
H 4.646241 -4.507294 2.224130
H -4.638762 -0.769578 -0.459982
H -0.979598 -5.302730 -0.117194
H -2.434619 -4.278983 -0.468229
H -1.011560 -4.137441 -1.510445
H -6.614487 0.157166 -1.356120
H -3.779170 2.683798 0.782346
H 7.086770 2.426255 0.344434
H 6.633409 1.553263 1.855054
H 7.818785 0.807351 0.710667
H 3.841790 4.906367 1.382768
H 3.785722 5.003015 -0.423684
H 5.308236 5.412929 0.457555
H -8.257495 2.035895 -1.380081
H -5.395764 4.555775 0.703517
H -7.651923 4.264318 -0.369682


