%chk=000245055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245055

0 1
O -6.552772 0.371865 -0.317167
N 0.784873 0.410687 -0.031694
C 3.250844 0.529260 -0.181189
C 4.597656 -0.094453 0.239882
C 2.054881 -0.319148 0.276870
C -1.683577 0.339859 -0.144962
C -0.417818 -0.424517 0.275899
C -2.950084 -0.426639 0.255295
C -4.210062 0.323400 -0.186099
C 4.900233 -1.368554 -0.559524
C 5.727061 0.929182 0.059014
C -5.477723 -0.424018 0.228748
H 3.158448 1.546610 0.252504
H 3.227079 0.672359 -1.277122
H 4.541591 -0.363417 1.324542
H 2.101665 -1.329030 -0.185609
H 2.096956 -0.469196 1.378870
H -1.679443 1.345346 0.324946
H -1.677843 0.521962 -1.236612
H -0.393582 -1.423598 -0.210417
H -0.431664 -0.603658 1.374320
H -2.964799 -0.577795 1.352742
H -2.936193 -1.439297 -0.192922
H 0.773515 0.680721 -1.021289
H -4.218919 0.472061 -1.285267
H -4.231406 1.346787 0.240587
H 4.120220 -2.124252 -0.421473
H 4.973124 -1.163808 -1.633006
H 5.850167 -1.815857 -0.248028
H 6.693936 0.510399 0.357675
H 5.819449 1.250836 -0.983823
H 5.557005 1.825089 0.665741
H -5.532935 -1.436198 -0.208595
H -5.593559 -0.480968 1.324658
H -7.413124 0.004378 -0.047095


%chk=000245055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000245055

0 1
O -6.680799 0.457100 -0.237123
N 0.795824 0.335969 -0.063602
C 3.275954 0.513307 -0.155572
C 4.658355 -0.062139 0.253462
C 2.067931 -0.352073 0.254986
C -1.696484 0.350471 -0.097248
C -0.421894 -0.437667 0.261462
C -2.993602 -0.426489 0.220526
C -4.267585 0.367308 -0.146617
C 4.972809 -1.404713 -0.451186
C 5.772950 0.972229 -0.034399
C -5.553177 -0.399959 0.172168
H 3.143462 1.513619 0.301978
H 3.264951 0.664356 -1.257704
H 4.636398 -0.245840 1.349543
H 2.135524 -1.359595 -0.228077
H 2.096989 -0.523734 1.350692
H -1.683755 1.312006 0.451200
H -1.679841 0.603179 -1.179178
H -0.450029 -1.435997 -0.249904
H -0.412607 -0.644945 1.350984
H -3.010869 -0.678929 1.301787
H -2.986952 -1.392791 -0.326602
H 0.782530 0.649565 -1.045915
H -4.263524 0.611781 -1.226742
H -4.285629 1.329638 0.400434
H 4.243323 -2.191907 -0.188966
H 4.955518 -1.278378 -1.551555
H 5.978031 -1.770912 -0.169968
H 6.762587 0.594252 0.283512
H 5.829121 1.194298 -1.117965
H 5.583899 1.924400 0.495696
H -5.568836 -1.363703 -0.383598
H -5.602837 -0.624325 1.260758
H -7.534535 -0.002986 -0.036868


