%chk=000267188.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267188

0 1
O 2.937917 -3.633922 -0.542027
O 6.395720 0.372170 -1.025623
O 4.614180 1.259686 -2.039560
N -3.568953 3.187046 -1.133299
N 1.979467 1.962019 -1.160735
N 1.349302 -1.955434 -0.550619
C -1.255854 0.454266 -0.030957
C -1.367144 -0.882616 -0.815915
C -2.368760 1.383082 -0.404979
C 0.092741 1.074555 -0.218969
C -3.772986 1.113305 -0.178976
C 1.020657 1.385528 0.841003
C -1.030220 -2.069770 0.043702
C -2.275985 2.642611 -0.975606
C 0.701119 1.431071 -1.418640
C -4.502405 2.259732 -0.644714
C 2.194527 1.936587 0.223554
C 0.275265 -2.617072 0.133813
C -4.486536 0.031068 0.368677
C 0.986031 1.253954 2.244237
C -2.057626 -2.675641 0.779490
C -5.908882 2.332031 -0.574341
C 3.314413 2.349001 0.979290
C -5.866792 0.105106 0.438501
C 2.086010 1.655339 2.978995
C 0.508047 -3.773458 0.898464
C -6.570463 1.246038 -0.029980
C 3.239352 2.200918 2.350476
C -1.823195 -3.813434 1.553884
C -0.540776 -4.366842 1.600864
C 2.605616 -2.504208 -0.841197
C 3.530523 -1.549564 -1.592955
C 4.351690 -0.723590 -0.605199
C 5.056689 0.394517 -1.312791
H -1.385409 0.221304 1.065231
H -0.744608 -0.855364 -1.730208
H -2.400857 -0.994121 -1.212501
H -1.397498 3.192503 -1.267160
H 0.311391 1.362654 -2.419456
H -3.778134 4.090570 -1.506907
H 2.670306 2.210645 -1.855882
H -3.946788 -0.849713 0.728703
H 0.101177 0.842029 2.726940
H -3.063779 -2.241919 0.743459
H -6.441602 3.205829 -0.932484
H 4.182730 2.779924 0.491979
H -6.437459 -0.720016 0.859297
H 2.082295 1.561956 4.063440
H 1.510260 -4.213573 0.937649
H -7.657089 1.255054 0.047033
H 4.075575 2.507819 2.978385
H -2.636781 -4.269260 2.113363
H 1.168174 -0.974787 -0.802870
H -0.353340 -5.263624 2.190346
H 2.971617 -0.893197 -2.292118
H 4.201492 -2.164758 -2.234986
H 5.080268 -1.374112 -0.064064
H 3.701970 -0.282605 0.192701
H 6.905004 1.105184 -1.469560


%chk=000267188-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267188

0 1
O 3.203857 -3.452170 -0.575576
O 6.574841 0.201431 -2.050172
O 4.641691 1.460564 -2.107462
N -3.471603 3.082475 -1.539990
N 2.057294 1.794908 -0.783393
N 1.354705 -1.980534 -0.596026
C -1.346861 0.400055 0.053915
C -1.451436 -1.012662 -0.658140
C -2.407199 1.350593 -0.485531
C 0.055986 0.974889 -0.004718
C -3.842875 1.219816 -0.273560
C 0.883421 1.346544 1.130934
C -0.966764 -2.196237 0.177668
C -2.226635 2.500555 -1.253978
C 0.812757 1.261904 -1.150957
C -4.484246 2.318435 -0.949794
C 2.132249 1.843443 0.611428
C 0.382163 -2.679406 0.181539
C -4.651158 0.296398 0.443298
C 0.695541 1.295526 2.538766
C -1.913686 -2.881612 0.978710
C -5.884304 2.502749 -0.941875
C 3.184701 2.275648 1.451914
C -6.047790 0.475396 0.459004
C 1.737889 1.726825 3.379620
C 0.734012 -3.826290 0.943120
C -6.659203 1.564476 -0.230313
C 2.970005 2.210297 2.842308
C -1.567777 -4.007630 1.755805
C -0.237535 -4.481091 1.726229
C 2.646629 -2.368566 -0.930460
C 3.400483 -1.344855 -1.793259
C 4.611074 -0.756718 -1.010211
C 5.231396 0.401466 -1.760249
H -1.587355 0.215621 1.121140
H -0.932138 -0.958486 -1.634763
H -2.516673 -1.182281 -0.894316
H -1.301706 2.961765 -1.591993
H 0.543228 1.157559 -2.201737
H -3.610741 3.937661 -2.072805
H 2.862573 1.930770 -1.410792
H -4.197433 -0.537271 0.991253
H -0.242676 0.924081 2.965721
H -2.954152 -2.533107 0.968102
H -6.357115 3.343119 -1.462647
H 4.124392 2.660680 1.040512
H -6.680021 -0.228628 1.011343
H 1.608072 1.692471 4.466862
H 1.762049 -4.190551 0.902666
H -7.748794 1.675972 -0.200973
H 3.760266 2.539638 3.526293
H -2.327302 -4.515527 2.359824
H 1.084794 -1.026564 -0.871090
H 0.049522 -5.362197 2.310768
H 2.739306 -0.527902 -2.128209
H 3.772912 -1.874070 -2.689037
H 5.360998 -1.539252 -0.822846
H 4.259926 -0.368622 -0.034602
H 6.938052 0.991001 -2.539069


