%chk=000218507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218507

0 1
O 5.370543 -0.019473 0.876511
N -1.953356 1.712955 -1.328411
N 0.312165 -1.302525 -0.932337
N -2.723417 -1.666289 0.045283
C -0.349869 -0.080595 -0.790606
C 0.550874 0.879080 -0.304490
C -1.772413 0.232618 -1.171876
C -1.324459 2.515858 -0.226022
C 0.209144 2.310490 -0.125608
C 1.807523 0.232524 -0.095069
C 1.636720 -1.143913 -0.481722
C -1.665523 3.990625 -0.457082
C -2.799451 -0.323271 -0.182977
C 3.063640 0.677816 0.375346
C -0.269466 -2.577911 -1.361061
C 2.697409 -2.075864 -0.396572
C 4.077430 -0.258214 0.444180
C 3.913972 -1.631248 0.065831
C -3.804279 0.466951 0.408256
C -4.712883 -0.131690 1.282980
C -3.614741 -2.234156 0.897546
C -4.620785 -1.501672 1.545409
C 5.694414 1.322872 1.305416
H -2.006801 -0.236927 -2.172392
H -1.785771 2.173272 0.738111
H 0.572315 2.678592 0.854421
H 0.741404 2.916240 -0.887560
H -1.559453 2.000320 -2.232721
H -1.327113 4.607640 0.382094
H -1.203809 4.389063 -1.367164
H -2.749694 4.131523 -0.558954
H 3.189122 1.713058 0.662364
H 0.447958 -3.145960 -1.975586
H -0.561911 -3.189629 -0.484539
H -1.189502 -2.416170 -1.951314
H 2.545924 -3.112083 -0.686400
H 4.772322 -2.292806 0.159245
H -3.881204 1.529881 0.171591
H -5.491716 0.466869 1.755425
H -3.505886 -3.313265 1.052531
H -5.311042 -1.989509 2.227278
H 5.081736 1.604749 2.166550
H 5.576207 2.025528 0.475643
H 6.749522 1.222048 1.588946


%chk=000218507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218507

0 1
O 5.485638 -0.047885 0.829535
N -1.923471 1.710395 -1.286190
N 0.329819 -1.325264 -0.943024
N -2.563277 -1.530366 0.422500
C -0.327541 -0.096687 -0.756640
C 0.572156 0.849512 -0.249967
C -1.760643 0.235236 -1.135972
C -1.331289 2.502681 -0.163629
C 0.208289 2.295664 -0.021215
C 1.845098 0.184682 -0.091571
C 1.661480 -1.174832 -0.524318
C -1.695211 3.985429 -0.344132
C -2.819217 -0.315286 -0.152314
C 3.120394 0.612789 0.371574
C -0.239340 -2.581488 -1.429597
C 2.718853 -2.111962 -0.493890
C 4.169711 -0.328680 0.394263
C 3.973146 -1.677920 -0.031831
C -4.017006 0.400647 0.095268
C -4.973300 -0.147273 0.976945
C -3.498008 -2.049144 1.270162
C -4.711383 -1.397146 1.584264
C 5.756165 1.312653 1.284124
H -1.994199 -0.209982 -2.127973
H -1.810603 2.123678 0.760976
H 0.524758 2.635822 0.986128
H 0.737860 2.949467 -0.749175
H -1.541973 2.025223 -2.190724
H -1.265249 4.595447 0.471066
H -1.295136 4.375318 -1.300796
H -2.790287 4.124002 -0.349512
H 3.266792 1.645936 0.700659
H 0.421745 -3.022290 -2.199094
H -0.379031 -3.302091 -0.604297
H -1.230024 -2.398550 -1.870196
H 2.579625 -3.150648 -0.811814
H 4.827390 -2.359909 0.016159
H -4.159230 1.361072 -0.407994
H -5.904879 0.389869 1.186777
H -3.255258 -3.023651 1.710367
H -5.422768 -1.857616 2.277144
H 5.129477 1.580782 2.158586
H 5.588147 2.051999 0.475101
H 6.817580 1.317766 1.574757


