%chk=000229874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229874

0 1
O -4.189322 0.379403 0.385021
O 4.190045 -0.378979 0.387393
O -2.450642 1.568660 -0.409807
O 2.451865 -1.565891 -0.411953
N -0.349693 -2.138868 0.114567
N 0.350412 2.139966 0.121244
C 0.001069 0.002436 -1.157154
C -0.811073 -0.906690 -0.304994
C 0.812340 0.909084 -0.301527
C -2.115668 -0.721226 0.208106
C 2.116461 0.722209 0.212298
C -2.453527 -1.907348 0.952215
C 2.453450 1.906115 0.960285
C -1.351727 -2.765289 0.894767
C 1.351599 2.764126 0.904291
C -3.721482 -2.167539 1.662798
C 3.720560 2.164868 1.672911
C -1.138167 -4.103699 1.480938
C 1.137597 4.100840 1.494154
C -2.867300 0.496846 0.015781
C 2.868251 -0.495308 0.016989
C -5.050970 1.547701 0.208920
C 5.051744 -1.546845 0.208606
C -5.478322 1.652707 -1.240893
C 5.480404 -1.647491 -1.241129
H 0.677670 -0.579780 -1.831719
H -0.674869 0.586618 -1.830695
H 0.588976 -2.495166 -0.056993
H -0.588114 2.496692 -0.050219
H -4.521547 -1.483779 1.326743
H -4.081339 -3.191913 1.499360
H -3.607591 -2.019001 2.746523
H 3.603259 2.022941 2.757128
H 4.084853 3.186938 1.504639
H 4.518909 1.476308 1.342675
H -1.131825 -4.888519 0.709435
H -0.187199 -4.167427 2.030317
H -1.937253 -4.355836 2.194449
H 0.183984 4.164612 2.038893
H 1.933568 4.348854 2.212588
H 1.136766 4.888355 0.725361
H -4.510339 2.445077 0.558295
H -5.882403 1.296088 0.891677
H 4.510707 -2.445222 0.554767
H 5.882576 -1.297376 0.892875
H -6.251862 2.415817 -1.379259
H -4.626093 1.920075 -1.883639
H -5.873711 0.698412 -1.612399
H 6.254182 -2.410073 -1.381070
H 4.628796 -1.913050 -1.885436
H 5.875998 -0.692031 -1.609425


%chk=000229874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229874

0 1
O -4.215535 0.397390 0.460167
O 4.215980 -0.396876 0.464505
O -2.431247 1.613024 -0.417005
O 2.432744 -1.610514 -0.417626
N -0.400483 -2.153665 -0.037273
N 0.401627 2.155387 -0.030279
C 0.001312 0.002711 -1.260214
C -0.850219 -0.910217 -0.414744
C 0.851695 0.912988 -0.410732
C -2.142585 -0.739502 0.144348
C 2.143202 0.740442 0.149851
C -2.469387 -1.963563 0.875757
C 2.469017 1.962217 0.885498
C -1.360470 -2.812825 0.754845
C 1.360500 2.812111 0.765184
C -3.739001 -2.264396 1.630760
C 3.737740 2.261017 1.642794
C -1.092868 -4.188050 1.298039
C 1.091990 4.185426 1.312717
C -2.888393 0.504622 0.019060
C 2.889240 -0.503217 0.021899
C -5.043557 1.636250 0.387460
C 5.044365 -1.635346 0.389104
C -5.684374 1.784597 -0.996167
C 5.686447 -1.779546 -0.994368
H 0.658580 -0.605530 -1.904029
H -0.655161 0.613023 -1.902881
H 0.572690 -2.438789 -0.215153
H -0.571091 2.441447 -0.208949
H -4.617334 -2.255155 0.960881
H -3.687223 -3.252801 2.120419
H -3.935556 -1.504582 2.408776
H 3.946232 1.485936 2.402108
H 3.676119 3.237441 2.154859
H 4.614016 2.277965 0.970003
H -0.966766 -4.935631 0.490735
H -0.176873 -4.214256 1.919795
H -1.931041 -4.523096 1.930435
H 0.178440 4.208287 1.938225
H 1.932103 4.520909 1.942300
H 0.961086 4.934548 0.507632
H -4.405822 2.505611 0.625959
H -5.799353 1.489910 1.176543
H 4.406637 -2.505542 0.624558
H 5.799432 -1.491077 1.179270
H -6.367738 2.654515 -1.002357
H -4.912231 1.945019 -1.766875
H -6.268162 0.884729 -1.256690
H 6.370047 -2.649260 -1.002479
H 4.915024 -1.937928 -1.766219
H 6.270209 -0.878760 -1.251746


