%chk=000231329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231329

0 1
O 2.018341 -0.721609 1.948408
N 0.712981 0.410868 -0.379388
N -1.136078 1.771765 -0.291865
N -0.413648 -1.790917 -0.007105
N -4.001481 0.485656 0.132124
N -2.839995 -1.574311 0.231034
C 2.116721 -0.047879 -0.425287
C 2.763913 0.023720 0.989986
C 2.942029 0.778403 -1.427715
C 4.202016 -0.517458 0.928717
C 4.381448 0.249263 -1.480956
C 5.036805 0.259872 -0.092819
C -0.387327 -0.423028 -0.156302
C 0.195314 1.743762 -0.430371
C -1.540927 0.437925 -0.118408
C -2.815943 -0.190408 0.085998
C -1.670913 -2.277370 0.178657
C -4.042197 1.960202 0.025369
C -5.290669 -0.199657 0.368107
H 2.097595 -1.126082 -0.759570
H 2.728845 1.055341 1.408026
H 2.946320 1.848741 -1.145880
H 2.478757 0.728176 -2.432755
H 4.192892 -1.596872 0.685768
H 4.654855 -0.451143 1.937550
H 4.977077 0.862568 -2.184111
H 4.391400 -0.778583 -1.894380
H 6.053084 -0.175043 -0.153973
H 5.176085 1.303614 0.250799
H 0.835192 2.600708 -0.575676
H 1.681827 -1.569993 1.579996
H -1.766163 -3.369377 0.305815
H -3.615716 2.292963 -0.941696
H -3.433222 2.432327 0.821509
H -5.072192 2.336443 0.102401
H -5.168551 -1.302789 0.374999
H -6.008258 0.050334 -0.430807
H -5.713213 0.092569 1.344203


%chk=000231329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231329

0 1
O 2.205398 -1.996142 1.016868
N 0.713935 0.354603 -0.500225
N -1.158562 1.660645 -0.811626
N -0.362419 -1.577703 0.639167
N -3.995741 0.577149 0.193885
N -2.770344 -1.308625 0.905996
C 2.149296 -0.098716 -0.632738
C 2.723094 -0.674789 0.710379
C 2.989626 1.080877 -1.188452
C 4.253940 -0.875772 0.632498
C 4.493248 0.747777 -1.275931
C 5.033253 0.346028 0.111581
C -0.374084 -0.354398 0.027233
C 0.168283 1.556196 -0.988424
C -1.527595 0.459315 -0.171948
C -2.785650 -0.063060 0.298359
C -1.600759 -1.979898 1.044669
C -4.161702 1.903954 -0.426285
C -5.228541 -0.042228 0.712992
H 2.159971 -0.938252 -1.359030
H 2.480151 0.063802 1.512155
H 2.866449 1.960303 -0.523022
H 2.613062 1.367257 -2.189642
H 4.430462 -1.743331 -0.033549
H 4.593196 -1.179611 1.639027
H 5.034799 1.626336 -1.675129
H 4.656563 -0.085197 -1.989546
H 6.111763 0.106596 0.053752
H 4.930678 1.201231 0.811158
H 0.771283 2.323999 -1.459983
H 1.177623 -2.000269 0.965890
H -1.656392 -2.952566 1.541396
H -3.195256 2.285741 -0.786265
H -4.581839 2.613584 0.313188
H -4.868837 1.834027 -1.275757
H -4.980135 -1.021415 1.144669
H -5.961698 -0.169846 -0.106569
H -5.679512 0.605097 1.489660


