%chk=000233015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233015

0 1
O 3.541617 -0.084952 1.029967
O -0.838645 -1.013951 -2.359567
O -7.036248 0.821972 0.481005
O -6.422541 -0.402492 2.156080
N 0.048808 0.097827 -0.571510
N -6.219645 0.149492 1.087540
C 1.458209 -0.028189 -1.058071
C 2.218993 1.193724 -0.603081
C 2.065111 -1.300428 -0.517626
C 3.189222 1.110685 0.402309
C 3.039765 -1.266603 0.487372
C 3.903132 2.240219 0.869832
C 1.960874 2.450846 -1.175311
C 1.659100 -2.555842 -0.997430
C 3.601357 -2.428417 1.040862
C 3.610676 3.473267 0.282675
C 2.650246 3.577640 -0.734730
C -1.005083 -0.458821 -1.286385
C 2.205499 -3.724123 -0.466578
C 4.918265 2.110225 1.952544
C 3.169074 -3.659137 0.551971
C -2.358105 -0.289397 -0.644373
C -3.333546 0.459637 -1.314831
C -2.638467 -0.906019 0.581860
C -4.602005 0.606683 -0.750477
C -3.905186 -0.767675 1.151697
C -4.873981 -0.006548 0.481165
H 1.433442 -0.076470 -2.186933
H -0.082186 0.513199 0.346970
H 1.214080 2.537025 -1.965148
H 0.903692 -2.605436 -1.790070
H 4.352415 -2.350567 1.823105
H 4.139528 4.366554 0.616414
H 2.446478 4.549705 -1.181668
H 1.884467 -4.693079 -0.844989
H 4.507619 2.434345 2.920360
H 5.251010 1.066995 2.079950
H 5.813882 2.713692 1.753006
H 3.586913 -4.579473 0.961410
H -3.105832 0.915624 -2.281862
H -1.876716 -1.503528 1.087078
H -5.381245 1.188080 -1.256785
H -4.149243 -1.243688 2.108353


%chk=000233015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233015

0 1
O 3.707184 -0.159312 0.984500
O -0.904742 -0.490448 -2.512292
O -7.341931 0.357974 0.148464
O -6.521945 -0.040480 2.239612
N 0.051681 0.025348 -0.453887
N -6.372884 0.121872 0.967371
C 1.456920 -0.060060 -0.953218
C 2.238365 1.169049 -0.507630
C 2.118292 -1.356416 -0.495991
C 3.286654 1.076630 0.437750
C 3.164868 -1.352529 0.455101
C 3.998061 2.215000 0.907386
C 1.905363 2.449487 -1.015088
C 1.673111 -2.607442 -0.991563
C 3.742370 -2.550159 0.930123
C 3.627537 3.472414 0.383024
C 2.592343 3.596812 -0.576616
C -1.033299 -0.217378 -1.274409
C 2.240943 -3.813949 -0.535998
C 5.111352 2.059975 1.922154
C 3.274715 -3.782496 0.434318
C -2.399561 -0.125764 -0.634521
C -3.502898 0.113699 -1.494089
C -2.622959 -0.307030 0.756267
C -4.808340 0.201761 -0.978715
C -3.924199 -0.229531 1.288529
C -4.997598 0.032927 0.410752
H 1.344971 -0.072228 -2.053883
H -0.082610 0.305477 0.519527
H 1.097981 2.531786 -1.752146
H 0.870114 -2.619276 -1.738025
H 4.547877 -2.493989 1.668359
H 4.162917 4.364835 0.727041
H 2.329844 4.582035 -0.975064
H 1.885494 -4.771082 -0.930795
H 4.739936 1.609041 2.860577
H 5.902694 1.386933 1.545013
H 5.564751 3.036848 2.159426
H 3.719467 -4.715656 0.796102
H -3.308631 0.216959 -2.565831
H -1.794676 -0.548898 1.431441
H -5.671986 0.393119 -1.620547
H -4.122747 -0.373257 2.353570


