%chk=000239302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239302

0 1
O -0.911862 1.785438 1.021009
N 0.602578 0.040906 0.777525
N 0.132270 0.883930 2.974021
C -0.678963 3.222843 1.185850
C -1.993017 3.851922 0.707093
C 0.547766 3.638703 0.366771
C -2.183671 3.735769 -0.810521
C 0.303365 3.499906 -1.140340
C -0.958513 4.256206 -1.573387
C -0.053264 0.899742 1.694720
C 1.103351 -1.250695 1.351052
C 0.020857 -0.073633 -0.590392
C 2.229661 -1.795834 0.507495
C -1.197765 -0.960808 -0.679394
C 2.167871 -3.111371 0.025450
C -1.098576 -2.238418 -1.247988
C 3.354716 -1.004725 0.228387
C -2.435549 -0.506407 -0.201508
C 3.225531 -3.630125 -0.727398
C -2.231357 -3.052551 -1.340665
C 4.406284 -1.526475 -0.528220
C -3.564090 -1.323862 -0.293206
C 4.344431 -2.839847 -1.006784
C -3.464509 -2.597537 -0.863941
H -0.517136 3.420850 2.268422
H -2.841414 3.360632 1.224668
H -2.009045 4.916237 1.012121
H 0.811601 4.685053 0.614106
H 1.420150 3.020916 0.660651
H -2.360874 2.672239 -1.072770
H -3.090236 4.287867 -1.118904
H 0.188188 2.415871 -1.384787
H 1.183028 3.858376 -1.703732
H -1.114683 4.140357 -2.662120
H -0.831794 5.340805 -1.396195
H 0.275506 -1.988794 1.454804
H 1.483610 -1.060476 2.389228
H 0.837494 -0.446608 -1.253291
H -0.226342 0.967036 -0.950523
H -0.302599 1.595310 3.549666
H 1.300194 -3.733158 0.239592
H -0.139429 -2.598747 -1.617964
H 3.398591 0.018072 0.603142
H -2.508039 0.488884 0.247852
H 3.176587 -4.653216 -1.096044
H -2.151962 -4.042924 -1.784902
H 5.277558 -0.910209 -0.743147
H -4.522724 -0.969088 0.080870
H 5.166099 -3.245411 -1.593006
H -4.344876 -3.232548 -0.935963


%chk=000239302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239302

0 1
O -0.669004 1.828461 0.671046
N 0.195764 -0.307531 0.646871
N 0.984045 1.118695 2.353590
C -0.599828 3.263604 1.071114
C -1.900309 3.898552 0.546016
C 0.662959 3.933702 0.484458
C -1.934801 3.988555 -0.997932
C 0.615378 4.015313 -1.059348
C -0.679439 4.707088 -1.548512
C 0.228790 0.916580 1.299157
C 0.884850 -1.469367 1.256135
C -0.408627 -0.504187 -0.685112
C 2.194269 -1.827757 0.557731
C -1.631742 -1.421908 -0.666215
C 2.332551 -3.047370 -0.149752
C -1.703718 -2.546705 -1.523319
C 3.296554 -0.933775 0.611396
C -2.722490 -1.146753 0.198175
C 3.549551 -3.375078 -0.793168
C -2.846649 -3.380661 -1.525783
C 4.510468 -1.257624 -0.032350
C -3.862801 -1.978713 0.201060
C 4.641270 -2.479542 -0.736925
C -3.929588 -3.098658 -0.662887
H -0.587406 3.314086 2.180676
H -2.762340 3.318322 0.923748
H -1.973621 4.917113 0.978867
H 0.724696 4.958088 0.906848
H 1.566642 3.390914 0.819202
H -1.988039 2.966053 -1.419864
H -2.853360 4.517160 -1.317127
H 0.664391 2.991671 -1.480664
H 1.506683 4.557581 -1.428485
H -0.706546 4.727202 -2.654895
H -0.681509 5.764254 -1.208467
H 0.190451 -2.331010 1.226690
H 1.074398 -1.199157 2.308459
H 0.359401 -0.927581 -1.363033
H -0.690782 0.487348 -1.073992
H 0.846517 2.023435 2.829355
H 1.485919 -3.745223 -0.190807
H -0.861733 -2.770528 -2.191137
H 3.185365 0.002777 1.170557
H -2.666206 -0.278868 0.865811
H 3.645309 -4.323379 -1.334579
H -2.889359 -4.248609 -2.193763
H 5.358166 -0.564428 0.019624
H -4.700238 -1.756291 0.872474
H 5.585722 -2.730894 -1.233189
H -4.814975 -3.744551 -0.660351


