%chk=000218288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218288

0 1
O 3.159597 -0.190850 2.037973
N -4.226002 -1.691965 0.279508
N -2.262370 1.982496 -0.511504
N 3.661789 -0.514312 -0.153697
C -2.208244 -0.257649 -0.040247
C -3.029613 0.801494 -0.405193
C -4.494522 0.708871 -0.624226
C -2.731844 -1.641560 0.136943
C -4.895372 -0.789003 -0.703242
C -0.869115 0.250284 0.093482
C -0.927508 1.658946 -0.205243
C 0.364682 -0.325590 0.436091
C -4.644889 -1.390659 1.680342
C 0.217477 2.477885 -0.163638
C 1.488032 0.489018 0.463639
C 1.417338 1.877386 0.174884
C 2.810469 -0.089617 0.870260
C 4.986477 -1.096160 0.198732
C 3.291132 -0.489706 -1.590005
C 6.112941 -0.082634 0.000836
C 2.601130 -1.783893 -2.023037
H -5.037822 1.205765 0.206221
H -4.806730 1.227883 -1.550837
H -2.472940 -2.262796 -0.753619
H -2.259520 -2.138782 1.012099
H -5.993674 -0.887799 -0.577579
H -4.652614 -1.179117 -1.717315
H -2.607164 2.891257 -0.746846
H 0.425115 -1.384613 0.681904
H -4.297017 -0.419548 2.063489
H -4.252349 -2.180561 2.341792
H -5.742471 -1.424288 1.751785
H 0.154786 3.538797 -0.381456
H 2.329336 2.472427 0.233365
H 4.956057 -1.421718 1.269061
H 5.161927 -2.004441 -0.416427
H 2.624185 0.380909 -1.787800
H 4.211399 -0.324744 -2.194682
H 6.189207 0.256799 -1.037044
H 5.956735 0.807382 0.625534
H 7.079497 -0.513996 0.284413
H 3.218860 -2.665761 -1.818465
H 1.649396 -1.927209 -1.495703
H 2.382715 -1.772527 -3.096547


%chk=000218288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218288

0 1
O 2.778635 -1.162749 1.567959
N -4.512106 -1.476523 0.769127
N -2.336660 1.821404 -0.713535
N 3.796823 -0.519398 -0.421221
C -2.418359 -0.335922 0.034109
C -3.188401 0.750624 -0.378828
C -4.689810 0.781631 -0.433067
C -3.064300 -1.645567 0.451335
C -5.207369 -0.693036 -0.279881
C -1.027284 0.062481 -0.052805
C -1.006749 1.427510 -0.525261
C 0.200420 -0.581166 0.236359
C -4.759098 -0.979289 2.141064
C 0.198264 2.138780 -0.706932
C 1.414301 0.109172 0.027447
C 1.404209 1.464190 -0.434099
C 2.696010 -0.572479 0.438082
C 5.082894 -1.053101 0.100913
C 3.716810 -0.254590 -1.878066
C 5.830124 -0.014855 0.962986
C 3.638393 -1.549579 -2.720105
H -5.101870 1.416000 0.379145
H -5.060636 1.204739 -1.388565
H -2.973605 -2.396229 -0.360959
H -2.560652 -2.076258 1.336958
H -6.290235 -0.686074 -0.057783
H -5.063938 -1.221164 -1.241920
H -2.643923 2.734579 -1.041705
H 0.230794 -1.599685 0.637357
H -4.310339 0.019126 2.360301
H -4.345884 -1.700128 2.868891
H -5.849358 -0.913685 2.310779
H 0.206723 3.183698 -1.036317
H 2.354431 2.001672 -0.531625
H 4.868658 -1.950145 0.708863
H 5.701898 -1.356853 -0.762257
H 2.827007 0.359400 -2.082973
H 4.603465 0.339159 -2.175275
H 6.054562 0.899729 0.384279
H 5.216281 0.261428 1.836834
H 6.784475 -0.435430 1.331144
H 4.505817 -2.209398 -2.539430
H 2.720776 -2.113423 -2.475483
H 3.617303 -1.302496 -3.797837


