%chk=000216360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216360

0 1
O 0.505170 0.140924 -2.351455
N 4.115881 0.864561 1.109199
N -2.891432 -0.430617 0.516327
N -3.006749 0.921632 0.365171
C 0.386111 -0.114971 -0.941871
C 1.555637 0.670969 -0.309755
C -0.974135 0.284458 -0.421417
C 2.895355 0.368189 -0.999931
C 1.674735 0.388387 1.195296
C 0.369609 -1.644143 -0.698041
C -1.669981 -0.864603 0.062117
C -0.866922 -2.066254 -0.102502
C -1.839235 1.382068 -0.217328
C 4.031060 1.177642 -0.356926
C 2.828882 1.197534 1.807233
C -1.619297 2.856142 -0.499264
C 1.343644 -2.576132 -0.989288
C -1.106868 -3.395812 0.192736
C -3.969312 -1.221424 1.150466
C -0.667171 3.020274 -1.694578
C -0.994999 3.480208 0.764883
C -2.958711 3.543923 -0.817691
C 5.246185 1.619329 1.730639
C 1.100260 -3.934207 -0.689906
C -0.099389 -4.335077 -0.110714
C -3.574953 -1.648396 2.560403
H 1.315034 1.760827 -0.470297
H 2.822327 0.598943 -2.081005
H 3.124998 -0.715079 -0.928535
H 1.854328 -0.693874 1.360952
H 0.727518 0.629439 1.712664
H 4.998980 0.885810 -0.819274
H 3.889202 2.260608 -0.560551
H 2.589700 2.282196 1.778570
H 2.945979 0.919333 2.877237
H -0.300545 -0.158751 -2.821891
H 2.291793 -2.269055 -1.436905
H -2.040877 -3.717609 0.643269
H -4.900231 -0.602221 1.175577
H -4.179393 -2.108488 0.508870
H -1.047483 2.509588 -2.585871
H 0.325404 2.585758 -1.486856
H -0.521613 4.073492 -1.948722
H -0.053041 2.989310 1.031941
H -0.788255 4.544515 0.618971
H -1.669491 3.387425 1.623984
H -3.665113 3.448705 0.016951
H -3.438869 3.093098 -1.692725
H -2.822114 4.609699 -1.019650
H 6.187552 1.317422 1.244232
H 5.328656 1.331340 2.790826
H 5.163055 2.714279 1.674232
H 1.868772 -4.671628 -0.917355
H -0.270431 -5.386813 0.114603
H -2.648724 -2.238429 2.571064
H -4.362869 -2.255166 3.022330
H -3.405822 -0.778376 3.211460


%chk=000216360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216360

0 1
O 0.653640 0.204133 -2.468601
N 4.055147 0.899249 1.334572
N -2.784937 -0.450967 0.547494
N -2.958968 0.929790 0.370913
C 0.449978 -0.133025 -1.034475
C 1.630044 0.582994 -0.303364
C -0.925331 0.277181 -0.490338
C 3.034683 0.201901 -0.827778
C 1.605805 0.408758 1.232924
C 0.397466 -1.675950 -0.835658
C -1.575052 -0.853781 0.041326
C -0.799716 -2.077039 -0.155586
C -1.816193 1.379419 -0.265015
C 4.102770 1.072734 -0.136974
C 2.724190 1.248305 1.883117
C -1.687231 2.868790 -0.586368
C 1.308891 -2.648755 -1.273493
C -1.052586 -3.432682 0.136702
C -3.821601 -1.223586 1.245550
C -1.087840 3.058304 -2.007375
C -0.757608 3.541619 0.470204
C -3.076046 3.560145 -0.526927
C 5.145352 1.617666 2.019217
C 1.052412 -4.018071 -0.991497
C -0.108645 -4.403135 -0.282103
C -3.454349 -1.520072 2.714206
H 1.483643 1.660744 -0.531770
H 3.083052 0.335771 -1.922820
H 3.254264 -0.854955 -0.589502
H 1.757755 -0.656524 1.490767
H 0.629967 0.723222 1.647875
H 5.111631 0.782890 -0.487560
H 3.947140 2.147981 -0.426274
H 2.495881 2.339456 1.728571
H 2.741713 1.071981 2.975457
H -0.140331 -0.116484 -2.968121
H 2.196510 -2.361909 -1.844300
H -1.960871 -3.742377 0.665206
H -4.741374 -0.619004 1.189841
H -3.995912 -2.163523 0.689543
H -1.778841 2.665175 -2.776513
H -0.123324 2.534542 -2.124475
H -0.932361 4.135209 -2.207100
H 0.260134 3.113487 0.452016
H -0.676513 4.625778 0.264719
H -1.168442 3.411962 1.488097
H -3.528393 3.467368 0.474773
H -3.776038 3.106461 -1.250759
H -2.964389 4.633681 -0.769892
H 6.121008 1.273025 1.631084
H 5.112371 1.401559 3.102532
H 5.095974 2.729762 1.888193
H 1.760723 -4.782714 -1.328894
H -0.287655 -5.462351 -0.066210
H -2.528528 -2.118503 2.785032
H -4.269063 -2.085678 3.201597
H -3.302205 -0.579055 3.270111


