%chk=000205659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205659

0 1
O 3.093179 -0.568803 -2.481996
O 1.578336 2.609922 0.256357
O 0.714428 -2.121078 1.953265
O -1.367152 1.467439 -1.449512
O 3.724050 3.405195 0.468687
N 5.306371 -0.279549 -0.376684
N 2.379147 -1.010878 -0.199211
N -3.090738 -0.163120 -0.329641
N 2.355484 3.061920 2.320525
C 4.125112 0.624496 -0.534650
C 2.892307 0.021105 -1.216918
C 4.374787 -0.129451 0.780027
C 3.368733 -1.281665 0.887952
C 1.639224 0.929357 -1.523191
C 1.041719 -0.749261 0.055801
C 0.538581 0.240815 -0.753845
C 1.736582 2.413987 -1.186702
C 0.177795 -1.462750 1.080405
C -0.858158 0.558500 -0.816704
C 4.040646 -1.653006 -2.623296
C -1.785437 -0.372826 0.017261
C -1.258769 -1.257488 0.932556
C -4.300744 -0.826228 0.223304
C -2.078628 -2.070535 1.883360
C -4.841021 -0.052738 1.445736
C -5.362530 -0.929579 -0.893705
C 2.661285 3.077631 0.964510
C -5.462836 1.295523 1.064709
C -5.993823 0.421329 -1.251372
C -6.546586 1.130095 -0.008300
H 4.265176 1.706707 -0.658281
H 4.672789 0.355412 1.709026
H 6.196014 0.218301 -0.284520
H 2.882323 -1.343838 1.885641
H 3.850205 -2.266085 0.687217
H 1.442527 0.843551 -2.631248
H 0.847000 2.956353 -1.576832
H 2.671433 2.884707 -1.538824
H 3.934957 -2.380368 -1.814864
H 5.054604 -1.242659 -2.651503
H 3.749094 -2.082527 -3.588231
H -3.286514 0.647428 -0.940000
H -4.022613 -1.871863 0.541699
H -1.448524 -2.776040 2.453123
H -2.581227 -1.432532 2.622621
H -2.837366 -2.673427 1.361847
H -4.026264 0.102798 2.180353
H -5.596701 -0.681521 1.955503
H -6.152658 -1.629130 -0.555375
H -4.918656 -1.390564 -1.797876
H -4.675856 1.985981 0.703201
H -5.893118 1.774986 1.964597
H -6.804020 0.268361 -1.990159
H -5.250278 1.069639 -1.755167
H -7.398743 0.555981 0.403698
H -6.953410 2.119958 -0.288983
H 2.923957 3.616159 2.945880
H 1.405223 2.884775 2.616930


%chk=000205659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205659

0 1
O 3.086325 -0.583792 -2.479488
O 1.616192 2.497103 0.463150
O 0.844394 -2.433500 1.724967
O -1.515371 1.221863 -1.667948
O 3.577422 3.823463 0.439970
N 5.310835 -0.147463 -0.465464
N 2.409696 -0.821206 -0.108998
N -3.105539 -0.364717 -0.353464
N 2.463941 3.250334 2.423899
C 4.104328 0.779023 -0.600285
C 2.863671 0.112622 -1.208131
C 4.413409 0.120681 0.732686
C 3.405194 -1.012055 0.979661
C 1.593614 0.986897 -1.517536
C 1.038625 -0.793017 -0.020892
C 0.489059 0.152887 -0.880295
C 1.578501 2.445029 -1.024451
C 0.227900 -1.647866 0.907394
C -0.919428 0.323756 -0.955809
C 3.741193 -1.908987 -2.443795
C -1.789324 -0.618070 -0.083445
C -1.222801 -1.535971 0.823221
C -4.353534 -0.873960 0.249365
C -2.001855 -2.465466 1.739494
C -4.802783 0.009149 1.453034
C -5.466033 -0.916095 -0.833657
C 2.640861 3.251460 1.057452
C -5.258556 1.419576 1.009742
C -5.935334 0.493088 -1.272879
C -6.379129 1.340169 -0.055805
H 4.274202 1.846861 -0.757441
H 4.794096 0.698783 1.579544
H 6.182584 0.414751 -0.418331
H 2.905229 -0.940080 1.958095
H 3.888841 -2.001439 0.908505
H 1.503392 1.024474 -2.618420
H 0.621872 2.907289 -1.318962
H 2.423461 3.033802 -1.423032
H 3.149486 -2.615934 -1.831419
H 4.766386 -1.833891 -2.049165
H 3.740101 -2.240711 -3.494477
H -3.191231 0.405893 -1.043164
H -4.171631 -1.899283 0.606316
H -1.283997 -2.953286 2.419704
H -2.751852 -1.935750 2.354838
H -2.519848 -3.269024 1.181641
H -3.975760 0.080883 2.184576
H -5.644307 -0.508500 1.958098
H -6.329791 -1.462037 -0.404334
H -5.110634 -1.499878 -1.703677
H -4.393445 1.976144 0.595687
H -5.608365 1.990564 1.890873
H -6.767019 0.393618 -1.995960
H -5.123833 1.022959 -1.813762
H -7.281458 0.879685 0.398121
H -6.667230 2.357290 -0.383200
H 3.111263 3.780010 3.000508
H 1.654712 2.790774 2.835343


