%chk=000297020.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297020

0 1
O 2.801283 3.161152 0.441826
O -3.467534 1.575438 -1.388428
O -7.670944 -1.173888 0.837414
N 4.060439 -0.201922 0.426130
N -0.051922 0.938967 -0.089157
N 4.808840 2.037477 0.257737
C 2.842721 0.670860 0.242783
C 1.857196 0.407790 1.396057
C 2.156663 0.508904 -1.126904
C 0.577775 1.242694 1.239446
C 0.871338 1.347938 -1.200870
C 3.414904 2.118731 0.352675
C 5.303274 0.636004 0.290148
C -1.377752 1.620237 -0.220996
C -2.274642 0.732667 -1.098753
C 4.097492 -1.534245 -0.087262
C 5.720514 3.147175 0.578594
C -2.783445 -0.554085 -0.403907
C -4.253363 -0.311260 -0.251174
C 5.267585 -2.069114 -0.665768
C 2.974639 -2.373543 0.096187
C -4.571456 0.937961 -0.841329
C 5.305935 -3.413397 -1.043304
C 3.031555 -3.709143 -0.291374
C -5.248354 -1.076478 0.333649
C -5.860093 1.457759 -0.873104
C 4.194613 -4.238945 -0.863376
C -6.556501 -0.551512 0.303678
C -6.869622 0.687712 -0.284558
C -7.486347 -2.462572 1.465944
H 2.334185 0.616771 2.372076
H 1.597358 -0.676708 1.407989
H 1.902229 -0.558417 -1.298359
H 2.842305 0.794233 -1.946220
H 0.817236 2.325908 1.363396
H -0.141149 0.967774 2.040233
H 0.362128 1.159075 -2.169657
H 1.125864 2.433724 -1.168239
H 5.952437 0.438963 1.176520
H 5.880429 0.424232 -0.642976
H -1.855214 1.758113 0.773533
H -1.324454 2.640451 -0.662576
H -1.842113 0.540947 -2.098762
H 6.163787 3.046916 1.583208
H 5.157139 4.102159 0.546145
H 6.528998 3.202415 -0.169351
H -2.276199 -0.723482 0.564967
H -2.573583 -1.451877 -1.013324
H 6.147090 -1.452127 -0.828301
H 2.064986 -1.977983 0.558908
H 6.216139 -3.817680 -1.486576
H 2.161141 -4.348936 -0.144297
H -5.023381 -2.032845 0.789555
H -6.072196 2.417738 -1.335239
H 4.230896 -5.282858 -1.161919
H -7.901021 1.035210 -0.274712
H -6.820728 -2.374365 2.329103
H -7.119518 -3.192787 0.739194
H -8.509179 -2.705127 1.782971


%chk=000297020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297020

0 1
O 3.009018 3.294255 0.349915
O -3.669038 1.870449 -1.438935
O -7.215396 -1.589516 1.190144
N 3.914239 -0.179802 0.065365
N -0.136078 1.214403 -0.220949
N 4.885343 1.879147 0.401539
C 2.789587 0.803327 0.051521
C 1.783006 0.569972 1.225618
C 2.062827 0.855272 -1.332019
C 0.505678 1.426456 1.105569
C 0.771655 1.696238 -1.298829
C 3.532837 2.144776 0.281311
C 5.221208 0.462427 0.282058
C -1.487046 1.819159 -0.307658
C -2.358466 1.118484 -1.373306
C 3.844776 -1.573140 -0.093984
C 5.898752 2.906094 0.625196
C -2.714570 -0.351586 -1.000485
C -4.132976 -0.223887 -0.462920
C 5.046813 -2.349738 -0.043398
C 2.616911 -2.276810 -0.308265
C -4.617525 1.064390 -0.770535
C 5.017151 -3.750347 -0.198716
C 2.606371 -3.676965 -0.461375
C -4.958528 -1.156306 0.194001
C -5.925910 1.468578 -0.448444
C 3.799429 -4.434036 -0.409433
C -6.282015 -0.762005 0.530425
C -6.757495 0.535609 0.208255
C -6.783689 -2.941937 1.535301
H 2.290257 0.789445 2.184284
H 1.494259 -0.493934 1.245226
H 1.809375 -0.170698 -1.645910
H 2.757395 1.267096 -2.088589
H 0.753919 2.500752 1.269596
H -0.205866 1.115359 1.892970
H 0.262197 1.595252 -2.274437
H 1.020311 2.773620 -1.155475
H 5.720510 0.092433 1.207075
H 5.918066 0.288950 -0.570055
H -1.991388 1.703288 0.670632
H -1.456135 2.911025 -0.533767
H -1.913094 1.211131 -2.377366
H 6.438034 2.736758 1.576516
H 5.380220 3.877577 0.673897
H 6.633680 2.930184 -0.201672
H -1.981039 -0.737273 -0.270372
H -2.684791 -1.014071 -1.886599
H 6.015292 -1.866635 0.118164
H 1.665404 -1.743584 -0.357503
H 5.959531 -4.308774 -0.153295
H 1.646069 -4.180309 -0.624114
H -4.581897 -2.156244 0.430387
H -6.284814 2.470874 -0.697734
H 3.779730 -5.521816 -0.529472
H -7.783676 0.794550 0.485609
H -5.921813 -2.928004 2.232263
H -6.516046 -3.525760 0.631831
H -7.650154 -3.405358 2.030238


