%chk=000272147.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272147

0 1
O 0.341048 3.911115 0.827057
O 4.786380 -2.534190 0.542480
O -0.335999 -2.551580 0.551037
N 4.037023 -0.791377 -0.725700
N -4.411594 0.764207 -1.249120
C 2.254390 1.265734 0.405305
C 1.767259 0.241424 -0.641002
C 3.435451 0.683593 1.209247
C 1.111871 1.657367 1.360055
C 2.928166 -0.219900 -1.535448
C 4.555573 0.176315 0.285801
C 0.023920 2.506154 0.686852
C -1.350887 2.396831 1.373169
C 4.069260 -2.162416 -0.373358
C -2.397464 1.815499 0.468069
C -2.372931 0.417740 0.104033
C 3.295550 -3.129604 -1.226259
C -3.402982 2.609403 -0.031537
C -3.399569 -0.059493 -0.762360
C -1.382624 -0.494902 0.551520
C -4.401390 2.041315 -0.890134
C -3.415880 -1.434765 -1.170676
C -1.410670 -1.805528 0.109188
C -2.437180 -2.298478 -0.749700
C -0.368362 -3.983817 0.344438
H 2.610891 2.178779 -0.130742
H 0.960735 0.676034 -1.260513
H 1.312625 -0.635762 -0.134126
H 3.084781 -0.150142 1.850372
H 3.842957 1.443932 1.900273
H 0.658013 0.732739 1.785169
H 1.511584 2.210625 2.233586
H 2.576043 -0.953112 -2.289381
H 3.342339 0.639938 -2.110956
H 5.033636 1.016768 -0.260847
H 5.353668 -0.323094 0.886440
H -0.049498 2.295025 -0.404644
H -1.639903 3.424920 1.705049
H -1.293006 1.815430 2.315518
H 1.251950 4.096150 0.535950
H 3.514641 -3.016332 -2.295457
H 2.212423 -3.019643 -1.079672
H 3.563353 -4.161889 -0.949325
H -3.459353 3.670909 0.204481
H -0.595542 -0.170718 1.238066
H -5.204101 2.679128 -1.281691
H -4.225876 -1.764982 -1.826851
H -2.440522 -3.338799 -1.062885
H -0.329411 -4.215687 -0.723044
H -1.247972 -4.420776 0.826203
H 0.552285 -4.302790 0.853572


%chk=000272147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272147

0 1
O 0.180813 2.663874 -0.441254
O 7.046897 -1.148337 0.532134
O -2.665515 -3.317554 0.744370
N 5.159114 -0.127989 -0.367525
N -4.946483 1.494923 -1.102316
C 2.636681 1.153803 0.454204
C 2.683197 0.035116 -0.620544
C 3.835565 0.983040 1.422666
C 1.300483 1.182800 1.234002
C 4.055632 -0.010373 -1.337524
C 5.180462 0.929388 0.668209
C 0.045085 1.431058 0.367057
C -1.212905 1.661084 1.238839
C 6.136324 -1.122896 -0.356224
C -2.506983 1.580051 0.452274
C -3.136012 0.309401 0.155456
C 6.078039 -2.188435 -1.453659
C -3.117739 2.736126 -0.043753
C -4.361290 0.326630 -0.626102
C -2.615696 -0.947960 0.586759
C -4.323773 2.652008 -0.809185
C -5.007867 -0.910790 -0.930678
C -3.273191 -2.144262 0.267628
C -4.484359 -2.130597 -0.498875
C -3.313968 -4.597868 0.447644
H 2.761882 2.134919 -0.056211
H 1.893844 0.175585 -1.385847
H 2.493676 -0.942929 -0.133782
H 3.711098 0.048309 2.005175
H 3.857830 1.821515 2.145797
H 1.171999 0.218207 1.769019
H 1.357404 1.977635 2.005427
H 4.087331 -0.850681 -2.047668
H 4.188513 0.925664 -1.923780
H 5.376203 1.908101 0.179999
H 6.021041 0.704770 1.344277
H -0.126929 0.562610 -0.303854
H -1.108322 2.664675 1.690039
H -1.208134 0.928646 2.067582
H 0.788632 2.492707 -1.203518
H 6.176113 -1.748898 -2.463172
H 5.137698 -2.768672 -1.420999
H 6.920223 -2.875275 -1.285319
H -2.663488 3.714592 0.140118
H -1.699330 -1.011429 1.180706
H -4.793052 3.565395 -1.194159
H -5.930068 -0.862032 -1.517783
H -5.001664 -3.061875 -0.747601
H -3.373357 -4.778353 -0.643223
H -4.327580 -4.650452 0.889863
H -2.668973 -5.357682 0.912816


