%chk=000244649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244649

0 1
O -0.647660 0.675975 -1.655536
O 0.660226 0.806859 1.598352
N -3.029754 0.770092 -0.173039
N 3.042515 0.740507 0.114671
N -1.771433 0.788670 0.395384
N 1.784237 0.727569 -0.453999
C -6.344854 -0.239375 0.574815
C 6.342943 -0.375081 -0.541808
C -6.699609 0.082270 2.001701
C 6.701272 -0.181981 -1.990814
C -5.425752 0.820752 -0.050179
C 5.438908 0.747334 -0.010649
C -6.096393 -0.618308 3.056997
C 6.087803 -0.962105 -2.982474
C -7.636313 1.088781 2.285171
C 7.651640 0.783446 -2.359029
C -4.070186 0.826898 0.605401
C 4.083170 0.715876 -0.665150
C -6.427409 -0.313902 4.380506
C 6.422218 -0.776978 -4.327020
C -7.962638 1.389571 3.609686
C 7.981315 0.964948 -3.704270
C -7.359130 0.690183 4.660207
C 7.367573 0.186424 -4.691275
C -0.657953 0.735513 -0.447933
C 0.670625 0.762369 0.390101
H -5.864808 -1.237717 0.501746
H -7.270575 -0.322675 -0.033541
H 5.849223 -1.356758 -0.383634
H 7.267777 -0.418623 0.072017
H -5.338891 0.639491 -1.145048
H -5.873058 1.833437 0.051703
H 5.900073 1.741275 -0.198790
H 5.350198 0.661915 1.095685
H -5.373821 -1.404678 2.848429
H 5.354551 -1.717616 -2.707642
H -8.111004 1.635099 1.472816
H 8.134319 1.390829 -1.596255
H -4.083453 0.883255 1.703789
H 4.096569 0.677498 -1.764310
H -5.957984 -0.862454 5.195894
H 5.944771 -1.386918 -5.092621
H -8.690396 2.170710 3.824654
H 8.719682 1.714623 -3.985024
H -7.615461 0.925711 5.690845
H 7.626530 0.329093 -5.738166
H -1.631873 0.838114 1.419922
H 1.644770 0.690781 -1.479081


%chk=000244649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244649

0 1
O -0.465392 1.185924 -1.775012
O 0.505429 1.296603 1.692347
N -3.009242 1.242162 -0.396752
N 3.049574 1.228330 0.311199
N -1.757177 1.261965 0.217776
N 1.796348 1.222122 -0.301358
C -6.263792 0.003485 0.282320
C 6.277649 -0.108984 -0.275304
C -6.495955 -0.055637 1.786978
C 6.491295 -0.300062 -1.771573
C -5.438024 1.252278 -0.173702
C 5.478056 1.188420 0.080558
C -5.756301 -0.946722 2.606586
C 5.727526 -1.243674 -2.505753
C -7.442758 0.802686 2.405980
C 7.445609 0.485326 -2.470706
C -4.048067 1.277943 0.403947
C 4.085979 1.193771 -0.492786
C -5.953743 -0.980259 4.006577
C 5.908177 -1.398441 -3.899887
C -7.643773 0.773285 3.803998
C 7.629944 0.334787 -3.863200
C -6.897738 -0.118497 4.610408
C 6.859583 -0.607936 -4.584168
C -0.592222 1.231090 -0.517163
C 0.631986 1.255471 0.434354
H -5.740962 -0.908314 -0.060301
H -7.234567 0.039294 -0.248609
H 5.743654 -0.978761 0.149359
H 7.255047 -0.045312 0.240751
H -5.363130 1.269200 -1.275164
H -5.979972 2.165908 0.144642
H 6.035339 2.062576 -0.313045
H 5.409224 1.295594 1.177325
H -5.027101 -1.623082 2.143164
H 4.992304 -1.866295 -1.980491
H -8.032500 1.491182 1.787009
H 8.054520 1.213012 -1.918594
H -3.956014 1.319801 1.508219
H 3.989529 1.159156 -1.597002
H -5.375266 -1.677956 4.622702
H 5.310640 -2.135203 -4.448687
H -8.382977 1.439164 4.263728
H 8.375185 0.946331 -4.384557
H -7.054029 -0.144007 5.694565
H 7.002831 -0.727571 -5.663797
H -1.632553 1.299182 1.246705
H 1.670327 1.191365 -1.330383


