%chk=000256952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256952

0 1
O -4.009678 -0.785124 -2.071321
O -3.906801 0.334804 2.611915
O -5.879851 -2.735528 -1.265801
O -4.212943 3.530590 -0.630097
N -4.109970 1.337519 -1.334120
N -4.047395 1.906126 0.998788
C -3.853061 -0.539869 0.345995
C -2.463394 -1.208814 0.485906
C -1.296407 -0.259293 0.194866
C -5.000483 -1.529178 0.659501
C 0.048452 -0.978913 0.371360
C 1.225357 -0.038238 0.079626
C 2.570402 -0.755823 0.256219
C -3.998537 -0.059257 -1.099798
C -3.935535 0.552633 1.423191
C 3.748238 0.183836 -0.035308
C 5.093709 -0.533058 0.140845
C -4.992662 -2.832771 -0.151877
C 6.271667 0.406363 -0.151026
C 7.617431 -0.310021 0.025121
C -4.129270 2.358328 -0.344228
C 8.795075 0.629467 -0.266628
C 10.142126 -0.085823 -0.091121
C 11.317868 0.844697 -0.380641
H -2.369373 -1.622616 1.513239
H -2.418457 -2.085042 -0.198843
H -1.333916 0.620640 0.867278
H -1.367938 0.139363 -0.836679
H -4.966388 -1.776659 1.744614
H -5.983204 -1.032139 0.502407
H 0.098030 -1.859643 -0.298583
H 0.133154 -1.376357 1.401928
H 1.180179 0.843328 0.748328
H 1.145353 0.360030 -0.950596
H 2.618894 -1.637071 -0.412395
H 2.653712 -1.153749 1.286137
H 3.701908 1.065273 0.633127
H 3.666895 0.582308 -1.065108
H 5.141460 -1.414423 -0.527460
H 5.176681 -0.931029 1.170627
H -3.980649 -3.111875 -0.498909
H -5.428453 -3.664291 0.437492
H 6.224981 1.287971 0.517028
H 6.189856 0.804481 -1.180844
H -4.192085 1.650951 -2.317273
H -4.084149 2.634635 1.732717
H 7.664921 -1.191372 -0.643153
H 7.699990 -0.708007 1.054883
H 8.714292 1.028518 -1.295961
H 8.749551 1.511265 0.400944
H 10.190066 -0.967323 -0.760032
H 10.225573 -0.483487 0.939257
H -5.455235 -2.225203 -2.000258
H 11.286844 1.227017 -1.407244
H 12.274394 0.325807 -0.252739
H 11.322174 1.710749 0.290905


%chk=000256952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256952

0 1
O -4.120014 -0.717098 -2.167829
O -3.975558 0.253655 2.610248
O -5.557664 -2.967020 -1.465789
O -4.445320 3.612714 -0.561601
N -4.267074 1.405705 -1.309902
N -4.207621 1.887790 1.000334
C -3.971446 -0.527329 0.280954
C -2.544041 -1.185323 0.383128
C -1.361571 -0.204106 0.222409
C -5.100313 -1.586217 0.609063
C 0.001316 -0.921343 0.352304
C 1.206522 0.021201 0.135742
C 2.568413 -0.690671 0.296943
C -4.129358 0.023349 -1.142795
C -4.053255 0.543374 1.389107
C 3.778296 0.229309 0.018705
C 5.138248 -0.483176 0.194616
C -5.054720 -2.962506 -0.096632
C 6.351026 0.418316 -0.128018
C 7.709024 -0.297292 0.051832
C -4.314184 2.392547 -0.304652
C 8.923778 0.592319 -0.295617
C 10.280264 -0.127293 -0.116461
C 11.489178 0.764400 -0.473211
H -2.488556 -1.681855 1.370254
H -2.475427 -1.965541 -0.395975
H -1.418844 0.595546 0.988787
H -1.412003 0.293736 -0.768237
H -5.025202 -1.756172 1.700026
H -6.093318 -1.135608 0.413469
H 0.051148 -1.751538 -0.382618
H 0.074234 -1.387490 1.356688
H 1.147369 0.867065 0.852156
H 1.144228 0.467097 -0.878998
H 2.608955 -1.562613 -0.389280
H 2.647887 -1.101341 1.325220
H 3.735226 1.109822 0.693629
H 3.704691 0.626921 -1.015279
H 5.167378 -1.380791 -0.458459
H 5.224807 -0.855685 1.236902
H -4.038361 -3.406239 -0.036649
H -5.738767 -3.633931 0.451078
H 6.322703 1.319438 0.520063
H 6.266352 0.785081 -1.172546
H -4.359771 1.749831 -2.272125
H -4.251916 2.584155 1.752190
H 7.729207 -1.207471 -0.584015
H 7.801213 -0.650209 1.100524
H 8.833287 0.944114 -1.344844
H 8.907048 1.503377 0.338984
H 10.293464 -1.039727 -0.747338
H 10.371926 -0.474842 0.932992
H -4.998513 -2.339914 -2.003805
H 11.435688 1.101408 -1.525816
H 12.445205 0.225344 -0.339329
H 11.518134 1.667433 0.165670


