%chk=000231571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231571

0 1
O 3.510321 0.073372 0.843188
O -2.855548 -1.671494 -0.923859
N 1.671449 -0.614537 -0.104437
N -1.149115 -0.921086 0.198380
N 2.943311 -0.802998 0.246680
N -2.379852 -0.771966 -0.279179
C 0.849664 0.600169 0.202163
C -0.458449 0.183447 0.943849
C 0.565962 1.402059 -1.078469
C -1.341529 1.418341 1.194664
C -0.248640 2.655403 -0.738173
C -1.567491 2.282522 -0.051632
C 0.978948 -1.726187 -0.814476
C -0.292847 -2.122403 -0.046802
H 1.450084 1.243658 0.907104
H -0.173320 -0.255206 1.942045
H 0.013318 0.783096 -1.812141
H 1.519034 1.682779 -1.567178
H -0.863401 2.028891 1.987833
H -2.322402 1.102813 1.607163
H -0.454696 3.228902 -1.662674
H 0.342674 3.331355 -0.090432
H -2.120336 3.199271 0.230307
H -2.224615 1.745847 -0.766611
H 1.659588 -2.603435 -0.913792
H 0.726950 -1.391986 -1.847959
H -0.873929 -2.877858 -0.629217
H -0.040234 -2.594972 0.927855


%chk=000231571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231571

0 1
O 3.490339 0.154708 0.907578
O -2.920114 -1.781550 -0.840932
N 1.644038 -0.627476 -0.127809
N -1.109105 -0.916843 0.181935
N 2.959038 -0.833017 0.278084
N -2.427253 -0.766388 -0.220630
C 0.863293 0.596714 0.172098
C -0.444066 0.185549 0.927421
C 0.575654 1.434596 -1.098623
C -1.347588 1.412559 1.186549
C -0.252479 2.690203 -0.738669
C -1.584560 2.298947 -0.058727
C 0.992963 -1.754358 -0.813590
C -0.312543 -2.136504 -0.076396
H 1.492693 1.190991 0.863603
H -0.139722 -0.244817 1.905135
H 0.014545 0.827964 -1.836799
H 1.537967 1.715882 -1.564249
H -0.838304 2.013509 1.966219
H -2.311231 1.078250 1.608964
H -0.448957 3.278983 -1.654290
H 0.340356 3.339254 -0.061962
H -2.133780 3.209263 0.246994
H -2.228611 1.758768 -0.776460
H 1.706123 -2.595013 -0.814951
H 0.761819 -1.481966 -1.860335
H -0.938102 -2.813692 -0.683689
H -0.077514 -2.626718 0.887728


