%chk=000187975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187975

0 1
O -4.329178 0.358896 -0.926371
O -3.790504 -1.412632 0.336154
O 4.374322 -0.174181 0.077589
O 2.763783 1.995435 -0.847903
N 0.873785 0.968505 -0.053723
N -1.976218 1.566148 -0.811465
N 0.993737 -1.172718 1.031299
C -1.200051 -0.120588 0.833400
C -2.008087 0.129928 -0.453289
C 0.286681 -0.141003 0.596692
C -3.422730 -0.435266 -0.261246
C 2.275376 1.035591 -0.279382
C 3.018025 -0.135419 0.233024
C 2.378089 -1.176967 0.851790
H -1.507297 -1.102836 1.286218
H -1.437117 0.637403 1.613122
H -1.546861 -0.457114 -1.303347
H 0.277643 1.735567 -0.411422
H -2.500373 2.127974 -0.142543
H -2.402689 1.720948 -1.726091
H 2.905844 -2.057060 1.235156
H -5.264604 0.021525 -0.856725
H 4.692625 0.655865 -0.393037


%chk=000187975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187975

0 1
O -3.918598 -1.176788 -0.634304
O -4.349011 0.990558 0.097313
O 4.342657 -0.013359 0.079379
O 2.721074 2.094095 -0.609057
N 0.799278 0.846859 0.007146
N -1.692596 1.787240 -0.580704
N 0.967354 -1.404517 0.807313
C -1.268607 -0.362674 0.643405
C -2.038208 0.343778 -0.519126
C 0.239037 -0.338632 0.476335
C -3.546003 0.127934 -0.319833
C 2.176704 1.024895 -0.163541
C 2.972584 -0.149299 0.219982
C 2.354277 -1.302648 0.680886
H -1.573749 -1.418366 0.712338
H -1.547149 0.128402 1.598466
H -1.744073 -0.134979 -1.469960
H 0.092468 1.584222 -0.269592
H -2.184598 2.320833 0.151490
H -1.896119 2.203673 -1.498527
H 2.937208 -2.183820 0.960789
H -4.890764 -1.310448 -0.464649
H 4.501035 0.911041 -0.277650


