%chk=000271176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271176

0 1
O 3.651409 1.398217 1.845343
O 3.761317 -2.516879 0.282084
O 1.323278 1.595681 -1.299652
O -5.314314 0.444616 0.824843
O -5.113432 -1.433556 -0.232123
N 1.805388 -0.166984 0.091388
N -4.668369 -0.390832 0.216245
C 3.295672 -0.105110 -0.064154
C 3.802894 1.280634 0.427417
C 3.927882 -1.207787 0.829628
C 3.685345 -0.304292 -1.528702
C 0.936746 0.678662 -0.599450
C -0.523599 0.378154 -0.369389
C -1.308607 1.315186 0.313800
C -1.084537 -0.801676 -0.874838
C -2.669113 1.067460 0.508190
C -2.444483 -1.055826 -0.688653
C -3.222557 -0.119883 0.008270
H 3.282503 2.109385 -0.090252
H 4.894146 1.386725 0.279604
H 3.547727 -1.173580 1.866427
H 5.031737 -1.097465 0.858918
H 4.767536 -0.207975 -1.676546
H 3.415275 -1.309540 -1.880445
H 3.193927 0.428805 -2.186398
H 1.432590 -0.902662 0.684895
H 2.713768 1.563949 2.072311
H 2.821789 -2.777385 0.267068
H -0.863667 2.243805 0.679543
H -0.468693 -1.514115 -1.426882
H -3.303901 1.786956 1.039060
H -2.907557 -1.969689 -1.079152


%chk=000271176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271176

0 1
O 3.340445 0.939677 2.159662
O 3.652459 -2.606160 -0.420985
O 1.295209 1.771172 -1.079009
O -5.496690 0.664759 0.255433
O -5.084985 -1.567080 0.489626
N 1.865532 -0.245522 -0.032025
N -4.702095 -0.350895 0.289354
C 3.356242 -0.112581 -0.120305
C 3.831360 1.067948 0.779734
C 3.939916 -1.442871 0.427843
C 3.819812 0.125596 -1.574136
C 0.954011 0.689125 -0.504283
C -0.507632 0.358681 -0.284281
C -1.427839 1.438089 -0.327176
C -0.988265 -0.961508 -0.074529
C -2.803749 1.217163 -0.137991
C -2.363121 -1.201796 0.113562
C -3.249212 -0.104005 0.086518
H 3.517351 2.023844 0.320640
H 4.932700 1.043860 0.852553
H 3.584226 -1.604055 1.468360
H 5.039485 -1.375973 0.444448
H 4.914906 0.276139 -1.588193
H 3.596486 -0.753724 -2.200979
H 3.332427 1.014161 -2.003334
H 1.521283 -0.913723 0.664042
H 2.471906 1.404837 2.241005
H 2.685122 -2.622197 -0.637914
H -1.037370 2.441397 -0.523024
H -0.303516 -1.816433 -0.094335
H -3.529789 2.033708 -0.162007
H -2.758518 -2.208634 0.270125


