%chk=000269791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269791

0 1
O -2.415339 -2.724066 -1.633257
O -1.275048 2.803741 2.215687
O 2.415243 2.724086 -1.633302
O 1.275593 -2.803778 2.215768
O -2.846379 -1.908219 0.325869
O -1.592808 0.735721 2.789293
O 2.846385 1.908249 0.325805
O 1.592148 -0.735566 2.789338
N -2.274463 -1.904236 -0.744413
N -1.445629 1.624057 1.976744
N 2.274418 1.904258 -0.744450
N 1.445629 -1.624021 1.976795
C -0.769646 -0.093341 0.242956
C 0.769627 0.093348 0.242958
C -1.273126 -0.776786 -1.048602
C -1.492185 1.252847 0.482666
C 1.273110 0.776771 -1.048610
C 1.492167 -1.252841 0.482711
C -1.936983 0.187447 -2.042007
C -2.967800 1.175687 0.071848
C 1.936976 -0.187481 -2.041996
C 2.967782 -1.175719 0.071880
C -3.102523 1.015304 -1.455420
C 3.102504 -1.015349 -1.455391
C -4.461779 0.408046 -1.803197
C 4.461777 -0.408128 -1.803179
H -1.039444 -0.760430 1.122289
H 1.039410 0.760463 1.122279
H -0.409284 -1.282289 -1.572900
H -0.990571 2.089832 -0.070385
H 0.409261 1.282248 -1.572916
H 0.990550 -2.089837 -0.070311
H -2.284652 -0.376644 -2.935306
H -1.153473 0.879057 -2.423029
H -3.517873 2.081340 0.398820
H -3.460231 0.323634 0.598237
H 2.284650 0.376591 -2.935305
H 1.153462 -0.879092 -2.423007
H 3.517824 -2.081392 0.398852
H 3.460247 -0.323679 0.598257
H -3.050936 2.034186 -1.920524
H 3.050898 -2.034235 -1.920482
H -4.606355 0.325356 -2.887172
H -4.598279 -0.596071 -1.381169
H -5.285488 1.024225 -1.419165
H 4.598330 0.595967 -1.381117
H 5.285469 -1.024356 -1.419187
H 4.606333 -0.325405 -2.887154


%chk=000269791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269791

0 1
O -2.437544 -2.842535 -1.679512
O -0.744634 3.088450 1.819475
O 2.437717 2.842426 -1.679447
O 0.743978 -3.088123 1.819666
O -2.745501 -2.062684 0.438421
O -1.391211 1.083100 2.702858
O 2.745631 2.062548 0.438482
O 1.390607 -1.082712 2.702925
N -2.245849 -1.986421 -0.740178
N -1.157614 1.874326 1.718070
N 2.245958 1.986328 -0.740111
N 1.157559 -1.874206 1.718223
C -0.780863 -0.039147 0.117114
C 0.780845 0.039143 0.117156
C -1.361041 -0.760235 -1.132223
C -1.442361 1.350815 0.297302
C 1.361102 0.760181 -1.132172
C 1.442343 -1.350807 0.297430
C -2.193836 0.142963 -2.079156
C -2.972508 1.264695 0.106240
C 2.193893 -0.143077 -2.079053
C 2.972492 -1.264682 0.106420
C -3.320431 0.967975 -1.383485
C 3.320461 -0.968060 -1.383310
C -4.710319 0.296622 -1.490562
C 4.710358 -0.296726 -1.490385
H -1.089556 -0.618692 1.011500
H 1.089487 0.618729 1.011534
H -0.567061 -1.243317 -1.728230
H -1.008953 2.126613 -0.358068
H 0.567166 1.243285 -1.728220
H 1.008949 -2.126648 -0.357902
H -2.610390 -0.481195 -2.890078
H -1.470687 0.832065 -2.558811
H -3.448088 2.211613 0.417791
H -3.359515 0.463646 0.762205
H 2.610474 0.481037 -2.889995
H 1.470742 -0.832190 -2.558686
H 3.448074 -2.211571 0.418058
H 3.359469 -0.463583 0.762345
H -3.374261 1.938320 -1.916006
H 3.374295 -1.938437 -1.915773
H -5.004104 0.156712 -2.546550
H -4.727007 -0.690680 -0.995193
H -5.481806 0.922807 -1.006398
H 4.727045 0.690602 -0.995068
H 5.481826 -0.922895 -1.006170
H 5.004168 -0.156875 -2.546373


