%chk=000235002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235002

0 1
O 1.798657 -1.557986 1.323370
O -1.798067 1.640208 1.221505
O 6.254047 0.904756 -4.171328
O -6.253130 -1.166083 -4.106202
O 5.420938 -1.072093 -4.447186
O -5.419625 0.789090 -4.507040
N 1.428927 -0.004830 3.013544
N -1.428876 0.197550 3.007065
N 2.787481 0.534855 1.104046
N -2.787267 -0.462157 1.135531
N 5.557330 -0.034701 -3.818124
N -5.556286 -0.206197 -3.813330
C 0.814760 1.354759 3.124408
C 0.642262 -1.062962 3.708828
C -0.642219 1.297657 3.633846
C -0.814725 -1.152263 3.204061
C 1.960551 -0.426804 1.744990
C -1.960243 0.538153 1.714164
C 3.466600 0.335286 -0.129126
C -3.466161 -0.341280 -0.107945
C 4.286720 1.397737 -0.584374
C -4.286413 -1.430379 -0.494857
C 3.339055 -0.844032 -0.890196
C -3.338281 0.787243 -0.942432
C 4.965534 1.273308 -1.788875
C -4.965029 -1.382657 -1.704938
C 4.020912 -0.961724 -2.094604
C -4.019942 0.828249 -2.151993
C 4.834198 0.094224 -2.544827
C -4.833362 -0.254040 -2.534300
H 0.828739 1.889578 2.146959
H 1.439654 1.940899 3.836936
H 0.679166 -0.836393 4.798383
H 1.147575 -2.049476 3.568391
H -0.679113 1.140649 4.735575
H -1.147539 2.273270 3.431120
H -0.828754 -1.748103 2.262572
H -1.439624 -1.691934 3.952398
H 2.988309 1.412116 1.594482
H -2.988327 -1.306425 1.680722
H 4.391328 2.311732 -0.002627
H -4.391277 -2.305521 0.143805
H 2.710340 -1.671221 -0.534470
H -2.709459 1.635259 -0.639918
H 5.604917 2.083848 -2.159848
H -5.604509 -2.215028 -2.023731
H 3.933131 -1.872605 -2.700285
H -3.931903 1.698766 -2.814343


%chk=000235002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235002

0 1
O 2.918558 -1.883363 1.214280
O -2.919110 1.961933 1.085269
O 8.937771 1.087711 -2.488578
O -8.936970 -1.252987 -2.412807
O 9.001676 -1.167704 -2.137450
O -9.015257 1.018033 -2.188109
N 1.389311 -0.191560 1.734480
N -1.387263 0.308945 1.711644
N 3.388565 0.347444 0.602191
N -3.382757 -0.303555 0.610956
N 8.430935 -0.011950 -2.030243
N -8.435959 -0.126021 -2.018973
C 0.920770 1.215333 1.659703
C 0.485338 -1.172062 2.363261
C -0.486409 1.328264 2.280259
C -0.918751 -1.099720 1.729506
C 2.589222 -0.658287 1.183920
C -2.587024 0.738096 1.131223
C 4.638594 0.190810 -0.039294
C -4.635095 -0.190959 -0.035284
C 5.244216 1.370234 -0.566466
C -5.234918 -1.402353 -0.491838
C 5.302643 -1.062103 -0.177893
C -5.307357 1.047907 -0.243093
C 6.483240 1.310934 -1.218219
C -6.476667 -1.388322 -1.140975
C 6.544724 -1.121106 -0.831681
C -6.552410 1.061475 -0.893818
C 7.126886 0.058699 -1.346437
C -7.128973 -0.149501 -1.337551
H 0.867592 1.546804 0.601956
H 1.601470 1.896986 2.213007
H 0.423059 -0.997267 3.454364
H 0.924607 -2.170320 2.206262
H -0.430444 1.225708 3.380905
H -0.924219 2.314291 2.056157
H -0.860272 -1.498633 0.695561
H -1.602502 -1.744301 2.322088
H 3.043204 1.308076 0.639489
H -3.033070 -1.258832 0.703734
H 4.736615 2.337571 -0.463757
H -4.720526 -2.358925 -0.335617
H 4.835180 -1.960086 0.227504
H -4.843967 1.970638 0.107700
H 6.960386 2.204648 -1.627926
H -6.949279 -2.307003 -1.497224
H 7.073009 -2.071006 -0.949034
H -7.087370 1.999684 -1.063348


