%chk=000257348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257348

0 1
O 1.129435 -1.082834 1.357819
O -1.090881 -1.123432 -1.363394
N 2.109913 0.196387 -0.282484
N -2.121231 0.109857 0.281520
C 1.904501 1.531120 0.377119
C -1.969964 1.453963 -0.373677
C 0.391467 1.768309 0.634907
C -0.467764 1.752877 -0.630648
C 2.655090 1.533009 1.720050
C 2.488998 2.606093 -0.555818
C -2.597290 2.501379 0.562781
C -2.720160 1.429994 -1.716604
C 1.634950 -1.002491 0.244416
C -1.598764 -1.067199 -0.249591
C 1.761640 -2.173636 -0.677033
C -1.677947 -2.245585 0.667940
C 2.844482 -2.937503 -0.750607
C -2.728225 -3.054019 0.737269
H 0.044626 0.980624 1.341988
H 0.264621 2.727664 1.167875
H -0.379812 2.718198 -1.160673
H -0.089434 0.982019 -1.340120
H 2.272030 0.738231 2.381301
H 3.724919 1.343534 1.586901
H 2.545926 2.485229 2.244565
H 3.566354 2.475387 -0.706558
H 2.009054 2.608845 -1.540472
H 2.344733 3.604978 -0.127839
H -2.493555 3.506673 0.138079
H -3.668465 2.326740 0.713084
H -2.117731 2.520300 1.547444
H -2.649598 2.387582 -2.237950
H -2.305400 0.653527 -2.380488
H -3.781449 1.197026 -1.584108
H 2.489507 0.207016 -1.226255
H -2.500269 0.102106 1.225547
H 0.844564 -2.347403 -1.262047
H -0.755272 -2.383084 1.253776
H 2.909989 -3.802426 -1.399312
H 3.741142 -2.769672 -0.167244
H -2.758703 -3.923083 1.383021
H -3.630228 -2.921603 0.153023


%chk=000257348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257348

0 1
O 1.140180 -1.331683 1.254452
O -1.088935 -1.372295 -1.260447
N 2.191511 0.157164 -0.225729
N -2.200190 0.067844 0.224245
C 1.907171 1.437723 0.493464
C -1.969158 1.361378 -0.490823
C 0.364229 1.633470 0.662551
C -0.435658 1.622207 -0.659097
C 2.579587 1.405019 1.890457
C 2.524018 2.570525 -0.362130
C -2.632225 2.464753 0.368740
C -2.639457 1.305605 -1.887968
C 1.786331 -1.102275 0.178053
C -1.744340 -1.172799 -0.183722
C 2.152574 -2.224284 -0.751569
C -2.065711 -2.311826 0.741825
C 3.358427 -2.369741 -1.359294
C -3.264479 -2.506144 1.349908
H 0.005881 0.816454 1.314901
H 0.213836 2.586777 1.206996
H -0.325343 2.585363 -1.195722
H -0.043931 0.826259 -1.318350
H 2.182949 0.565224 2.484368
H 3.673312 1.282173 1.791870
H 2.382171 2.349408 2.430443
H 3.620248 2.448591 -0.445551
H 2.095002 2.594519 -1.380942
H 2.326793 3.548409 0.110579
H -2.474256 3.451755 -0.099731
H -3.722633 2.297908 0.450250
H -2.205376 2.501873 1.388076
H -2.481473 2.259354 -2.424466
H -2.207568 0.485354 -2.484593
H -3.727057 1.136546 -1.790319
H 2.593255 0.227500 -1.163118
H -2.604343 0.118585 1.161915
H 1.364050 -2.977475 -0.861485
H -1.248526 -3.034306 0.848006
H 3.574389 -3.238823 -1.990091
H 4.174569 -1.649187 -1.220951
H -3.446230 -3.385288 1.977521
H -4.107792 -1.816917 1.214980


