%chk=000256016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256016

0 1
O 2.527100 2.620682 -0.543567
N -0.857405 2.592439 0.259339
N 0.315638 3.265779 -0.220442
C 0.727279 0.960757 -0.171457
C -0.601300 1.182615 0.089815
C 1.462918 -0.294137 -0.259571
C -1.720446 0.248887 0.249554
C 1.391190 2.281672 -0.325047
C 2.591973 -0.387462 -1.094914
C 1.064362 -1.415408 0.490048
C -2.607682 0.380807 1.330205
C -1.904893 -0.778619 -0.691262
C 3.293788 -1.589796 -1.191708
C 1.773302 -2.614417 0.387365
C -3.675363 -0.510245 1.463828
C -2.977132 -1.662116 -0.551616
C 2.885059 -2.707011 -0.455388
C -3.862415 -1.528955 0.523783
H -1.706924 2.949489 -0.205384
H 0.499107 4.145701 0.276319
H 2.927586 0.489137 -1.653964
H 0.207709 -1.348798 1.158871
H -2.456603 1.170478 2.067402
H -1.205161 -0.887195 -1.522417
H 4.166151 -1.655100 -1.840470
H 1.459714 -3.478701 0.970314
H -4.361989 -0.411247 2.303933
H -3.121355 -2.458663 -1.281218
H 3.434635 -3.642387 -0.533628
H -4.697041 -2.221385 0.630179


%chk=000256016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256016

0 1
O 2.558570 2.631037 -0.601125
N -0.842269 2.519558 0.351022
N 0.318027 3.206177 -0.086424
C 0.744265 0.939978 -0.184882
C -0.594262 1.138607 0.168280
C 1.511184 -0.314725 -0.295037
C -1.748813 0.226461 0.302812
C 1.370820 2.278278 -0.342649
C 2.644794 -0.379652 -1.155397
C 1.174916 -1.469395 0.469120
C -2.748903 0.480185 1.282600
C -1.910921 -0.878160 -0.577873
C 3.393760 -1.570272 -1.268351
C 1.925563 -2.656734 0.352618
C -3.882551 -0.355464 1.381655
C -3.042718 -1.711476 -0.473364
C 3.036899 -2.716836 -0.521909
C -4.033276 -1.454542 0.505133
H -1.734178 2.901660 0.013000
H 0.497376 4.149022 0.264350
H 2.939824 0.512793 -1.714370
H 0.334459 -1.429718 1.169926
H -2.616790 1.313471 1.982393
H -1.151809 -1.074124 -1.341584
H 4.261902 -1.599993 -1.936425
H 1.652159 -3.531679 0.953471
H -4.640923 -0.154812 2.146331
H -3.155950 -2.558659 -1.158353
H 3.621926 -3.639248 -0.609638
H -4.911279 -2.104936 0.583570


