%chk=000216492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216492

0 1
O -0.088622 2.370147 0.182850
N 0.362114 0.131803 -0.030392
N -1.394973 -1.490613 -0.196785
N 4.528054 0.985581 0.127839
C 0.919328 -2.337138 -0.236783
C -0.110712 -1.210053 -0.163140
C -1.972468 0.889654 0.019919
C -0.553756 1.257064 0.069861
C 1.117175 -2.897862 1.174464
C 0.464842 -3.418919 -1.218395
C -2.356631 -0.464969 -0.109589
C 1.788527 0.425134 0.024097
C -2.963241 1.893326 0.103512
C -3.729994 -0.809864 -0.153692
C 2.434320 0.517851 1.264436
C 2.506461 0.617943 -1.164844
C -4.303325 1.545880 0.058930
C -4.682854 0.191338 -0.069634
C 3.809477 0.803907 1.266130
C 3.878189 0.899211 -1.062359
H 1.897846 -1.930713 -0.605289
H 0.179092 -3.300062 1.582227
H 1.482743 -2.134769 1.870728
H 1.844983 -3.718335 1.171852
H 0.308396 -3.013649 -2.224738
H -0.489793 -3.870508 -0.907883
H 1.203790 -4.224307 -1.288881
H -2.649426 2.936505 0.202934
H -4.008755 -1.859381 -0.253439
H 1.886714 0.397832 2.196794
H 2.015295 0.573232 -2.134626
H -5.073114 2.313126 0.122503
H -5.744089 -0.061838 -0.102623
H 4.366509 0.894877 2.207313
H 4.489800 1.065268 -1.958299


%chk=000216492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216492

0 1
O -0.065801 2.430645 -0.037628
N 0.371457 0.117188 -0.050927
N -1.385027 -1.523939 -0.068601
N 4.556573 1.080190 0.051044
C 0.914824 -2.365549 -0.099377
C -0.097480 -1.221565 -0.076249
C -1.951774 0.890613 -0.031361
C -0.525233 1.253559 -0.041895
C 0.914568 -3.086656 1.276493
C 0.580879 -3.355681 -1.243253
C -2.333930 -0.489163 -0.038263
C 1.792668 0.433661 -0.018479
C -2.941189 1.908713 -0.009154
C -3.716475 -0.824433 -0.020145
C 2.496860 0.426457 1.204125
C 2.472621 0.786033 -1.203334
C -4.301823 1.562395 0.008462
C -4.686517 0.190837 0.003551
C 3.872756 0.750587 1.186770
C 3.848576 1.097709 -1.117790
H 1.923179 -1.952164 -0.276127
H -0.091223 -3.487846 1.490629
H 1.197765 -2.402841 2.097607
H 1.635422 -3.923808 1.265054
H 0.630659 -2.863795 -2.231699
H -0.437866 -3.756394 -1.111074
H 1.301225 -4.193658 -1.238239
H -2.610955 2.952615 -0.004872
H -3.989613 -1.883856 -0.026421
H 1.988786 0.188217 2.143349
H 1.945803 0.827614 -2.160981
H -5.068135 2.344301 0.026235
H -5.749618 -0.073734 0.017597
H 4.456429 0.753639 2.113768
H 4.413514 1.376809 -2.013819


