%chk=000211533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211533

0 1
O 6.852828 -2.115281 0.482073
O -0.111821 -2.100591 -0.646153
N 4.123810 -1.461899 -0.036412
N 0.718569 0.022477 -0.656345
N 0.608580 1.356383 -0.531258
C 2.707456 -1.130013 0.313017
C 5.072871 -0.433767 0.503280
C 4.506699 -2.825319 0.455341
C 2.101399 -0.475612 -0.947882
C 6.493186 -0.791327 0.036949
C 5.942774 -3.122768 -0.005668
C -0.364541 -0.918776 -0.499874
C -1.668379 -0.298362 -0.187105
C -0.586045 1.879659 -0.264477
C -1.764143 1.057283 -0.089216
C -2.825975 -1.186803 0.010930
C -0.682592 3.353207 -0.149362
C -3.002690 -2.327728 -0.792804
C -3.773279 -0.898020 1.008172
C -5.068808 -2.850725 0.372696
C -4.115658 -3.147416 -0.616562
C -4.885381 -1.722057 1.186277
C -1.295475 3.923060 0.978393
C -0.169889 4.177153 -1.162847
C -1.400618 5.311901 1.082415
C -0.280298 5.565946 -1.050264
C -6.255122 -3.739709 0.554596
C -0.896298 6.134314 0.068894
H 2.611055 -0.455236 1.189023
H 2.122597 -2.045977 0.560639
H 5.049451 -0.361956 1.612211
H 4.780315 0.559832 0.101919
H 3.807617 -3.566384 0.009944
H 4.437760 -2.923721 1.559852
H 2.033838 -1.224757 -1.771889
H 2.738182 0.362821 -1.309275
H 6.587543 -0.743977 -1.062251
H 7.261974 -0.161938 0.517614
H 6.344382 -4.045172 0.448404
H 6.017004 -3.170508 -1.106486
H -2.716845 1.553518 0.109349
H -2.254007 -2.580724 -1.548177
H -3.638561 -0.033593 1.656571
H -4.242329 -4.026523 -1.246129
H -5.609953 -1.487150 1.963237
H -1.678213 3.286378 1.773932
H 0.317374 3.732729 -2.030713
H -1.874422 5.755402 1.956929
H 0.116829 6.205701 -1.837240
H -6.804426 -3.875543 -0.388045
H -5.949811 -4.739258 0.898475
H -6.970732 -3.351209 1.290484
H -0.981383 7.216335 0.153320


%chk=000211533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211533

0 1
O 7.005248 -1.962832 0.230322
O -0.085826 -2.226185 -0.663341
N 4.159545 -1.468917 -0.042094
N 0.696987 -0.029682 -0.649726
N 0.611854 1.327780 -0.477811
C 2.783217 -1.052806 0.293140
C 5.136230 -0.350918 -0.043334
C 4.665906 -2.603699 0.770833
C 2.054419 -0.529951 -0.971146
C 6.493631 -0.840691 -0.574277
C 6.026252 -3.064314 0.222140
C -0.354882 -0.991347 -0.499464
C -1.668444 -0.405972 -0.158952
C -0.602252 1.834641 -0.161354
C -1.747265 0.980279 -0.017861
C -2.857553 -1.275122 0.021611
C -0.673048 3.313072 0.005699
C -2.977556 -2.539353 -0.626167
C -3.940915 -0.848389 0.842455
C -5.226386 -2.885284 0.331198
C -4.142018 -3.316653 -0.476815
C -5.098507 -1.636140 0.992238
C -1.768514 3.932918 0.666320
C 0.372981 4.138566 -0.492391
C -1.820514 5.335540 0.817090
C 0.320911 5.538074 -0.339349
C -6.467168 -3.743116 0.496963
C -0.777949 6.146108 0.314037
H 2.757530 -0.263403 1.083223
H 2.224835 -1.927400 0.670578
H 5.273699 0.066880 0.986103
H 4.765178 0.465460 -0.690908
H 3.943572 -3.438857 0.710421
H 4.784893 -2.322769 1.847405
H 1.962529 -1.357753 -1.690627
H 2.599709 0.311561 -1.425265
H 6.384497 -1.158342 -1.633768
H 7.259896 -0.051358 -0.498766
H 6.465847 -3.853271 0.854523
H 5.897290 -3.441981 -0.815076
H -2.722052 1.440914 0.163083
H -2.147622 -2.905415 -1.233992
H -3.866791 0.092137 1.400398
H -4.208868 -4.281556 -0.994436
H -5.910204 -1.284579 1.640454
H -2.578854 3.327638 1.087118
H 1.218423 3.662666 -0.997661
H -2.671826 5.793743 1.332582
H 1.134145 6.157550 -0.733662
H -6.899754 -4.017073 -0.483259
H -6.231637 -4.688774 1.021478
H -7.246707 -3.221988 1.078548
H -0.819710 7.234665 0.430043


