%chk=000276144.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276144

0 1
O 2.145195 -1.974611 -1.479003
O 4.652902 -1.165190 -0.349836
O -4.583812 -0.683696 -0.681341
O -3.318580 -3.258949 -0.004350
N 0.439737 3.606532 0.662835
N 0.203448 -1.027163 2.224774
C 0.095384 2.188045 0.315578
C 1.309609 1.301960 0.096956
C 1.496732 3.662946 1.712502
C 2.799967 2.927600 1.350832
C -0.804215 1.635696 1.455558
C 2.565872 1.636431 0.619451
C 1.149379 0.112229 -0.635415
C 0.824512 4.384028 -0.552767
C -1.486817 0.356371 1.069301
C 3.654118 0.767801 0.427822
C 2.216799 -0.763411 -0.808598
C 3.493232 -0.430099 -0.274392
C -0.949797 -0.920176 1.418020
C -2.682443 0.407793 0.356438
C -3.345415 -0.761115 -0.043211
C -1.609318 -2.096262 1.020241
C -2.810080 -2.020759 0.295653
C 0.830279 -2.422132 -1.894090
C 4.630649 -2.397495 -1.113976
C -4.525377 -0.102372 -2.009685
C -4.627354 -3.329299 -0.628182
H -0.515091 2.209115 -0.627005
H 1.061574 3.227366 2.640317
H 1.711043 4.728097 1.942762
H 3.388706 2.746959 2.272936
H 3.437553 3.580773 0.716879
H -1.562771 2.409742 1.709869
H -0.217332 1.516192 2.387701
H 0.169972 -0.120454 -1.053729
H 1.070315 5.416957 -0.261018
H -0.043319 4.436788 -1.229498
H 1.676858 3.968452 -1.111381
H 4.640616 1.011567 0.821216
H -3.127046 1.371104 0.100843
H -1.230219 -3.077879 1.294596
H 0.855727 -0.251094 2.179369
H 0.679459 -1.918789 2.206372
H 1.051265 -3.418913 -2.294690
H 0.437896 -1.763326 -2.673391
H 0.151226 -2.485240 -1.035765
H 4.341669 -2.194332 -2.150591
H 3.943470 -3.112366 -0.649398
H 5.672857 -2.726942 -1.039764
H -3.860266 -0.684256 -2.651548
H -4.206812 0.941568 -1.952805
H -5.567625 -0.174989 -2.339697
H -4.561684 -2.970254 -1.658163
H -5.355901 -2.739560 -0.058857
H -4.842847 -4.402092 -0.578473


%chk=000276144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276144

0 1
O 2.110983 -1.949597 -1.583797
O 4.539575 -1.468707 -0.158195
O -4.546050 -0.520166 -1.166299
O -3.644241 -3.127114 -0.164884
N 0.595184 3.662828 0.733815
N -0.016504 -0.953614 2.231862
C 0.171016 2.296888 0.314248
C 1.357821 1.340191 0.116074
C 1.530127 3.612658 1.887914
C 2.842380 2.837192 1.588435
C -0.888737 1.742709 1.334946
C 2.590946 1.560857 0.788069
C 1.209288 0.199891 -0.712403
C 1.100253 4.479654 -0.393184
C -1.577217 0.449410 0.925834
C 3.628810 0.608510 0.627427
C 2.234361 -0.760331 -0.842352
C 3.475314 -0.547332 -0.162626
C -1.131507 -0.832467 1.392227
C -2.702908 0.498189 0.070697
C -3.408108 -0.656410 -0.323718
C -1.862593 -1.997417 1.022391
C -2.992766 -1.917890 0.187697
C 0.796695 -2.241689 -2.170461
C 5.045697 -1.932897 -1.466714
C -4.367558 -1.113352 -2.509053
C -5.053228 -3.215061 0.284661
H -0.360584 2.408699 -0.651757
H 1.002580 3.138771 2.735775
H 1.761044 4.649355 2.195242
H 3.364539 2.603863 2.537016
H 3.532330 3.486180 1.010747
H -1.639460 2.547491 1.438701
H -0.416001 1.623951 2.328426
H 0.254445 0.051928 -1.225820
H 1.366311 5.485278 -0.019644
H 0.298457 4.598534 -1.144304
H 1.992357 4.053884 -0.911897
H 4.595951 0.749584 1.123769
H -3.063010 1.465376 -0.300227
H -1.562818 -2.986797 1.386731
H 0.694804 -0.225294 2.229526
H 0.291382 -1.883461 2.507335
H 0.902925 -3.237360 -2.626013
H 0.532274 -1.501109 -2.950197
H 0.008487 -2.263828 -1.394077
H 5.423317 -1.075941 -2.058385
H 4.260157 -2.462963 -2.029290
H 5.876629 -2.612770 -1.223518
H -4.138834 -2.192888 -2.435655
H -3.554257 -0.594816 -3.054152
H -5.323803 -0.959105 -3.033252
H -5.647597 -2.375356 -0.117691
H -5.099221 -3.211001 1.390530
H -5.425539 -4.176242 -0.102329


