%chk=000257328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257328

0 1
O -2.272411 2.023176 0.259840
O 2.434712 1.842582 0.183907
N -1.219407 0.067233 -0.249405
N 1.202566 -0.023110 -0.290993
N -0.175510 -1.685632 -1.444111
C 0.084873 2.228249 -0.263869
C 0.048708 2.739946 -1.729215
C 0.140440 3.396325 0.752620
C -1.236063 1.477300 -0.040353
C 1.347713 1.380411 -0.078892
C -0.053458 -0.635531 -0.712881
C 1.230045 3.624621 -2.104093
C 0.102950 2.927934 2.202293
C -2.448933 -0.708711 -0.085816
C 2.326960 -0.918687 -0.060903
C -3.587780 -0.373094 -0.832086
C 3.584799 -0.616490 -0.605294
C -2.462177 -1.767620 0.835342
C 2.130836 -2.081943 0.703437
C -4.756883 -1.115580 -0.645994
C 4.648933 -1.494459 -0.384130
C -3.640015 -2.500168 1.000847
C 3.205300 -2.950186 0.905894
C -4.784934 -2.176885 0.264557
C 4.462061 -2.661632 0.362874
H -0.897209 3.303599 -1.884037
H 0.000343 1.870165 -2.417155
H -0.711848 4.080008 0.555163
H 1.068758 3.980020 0.573526
H 1.183588 4.602880 -1.609290
H 2.194399 3.174948 -1.825738
H 1.254689 3.808524 -3.185184
H -0.827467 2.396250 2.440500
H 0.946007 2.269261 2.445549
H 0.161590 3.783997 2.886914
H -3.565855 0.459982 -1.532726
H 3.736324 0.305968 -1.168045
H -1.571626 -2.018766 1.406252
H 1.159913 -2.303145 1.143769
H 0.634824 -2.214210 -1.753677
H -5.650179 -0.863643 -1.216819
H 5.630947 -1.262991 -0.797368
H -3.664693 -3.327185 1.709445
H 3.062253 -3.855455 1.496056
H -5.698826 -2.752060 0.400792
H 5.295440 -3.342595 0.527398


%chk=000257328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257328

0 1
O -2.321167 1.983742 0.404712
O 2.451402 1.736986 0.513035
N -1.232048 -0.005932 -0.106467
N 1.182854 -0.110782 -0.110002
N -0.201435 -2.020793 -0.729172
C 0.086515 2.143621 0.005353
C 0.086598 2.664236 -1.496633
C 0.120133 3.335354 1.003746
C -1.243936 1.383375 0.150338
C 1.328200 1.267248 0.190006
C -0.063573 -0.780975 -0.350520
C 1.282052 3.556642 -1.886569
C 0.030770 2.918399 2.486592
C -2.518963 -0.701724 -0.134170
C 2.387225 -0.932751 -0.138164
C -3.218104 -0.828227 -1.350942
C 3.237504 -0.885226 -1.264159
C -3.052490 -1.211239 1.066402
C 2.695807 -1.755610 0.967847
C -4.470086 -1.480248 -1.365771
C 4.407836 -1.675537 -1.284484
C -4.305164 -1.862586 1.047464
C 3.865021 -2.547174 0.940140
C -5.014977 -1.998658 -0.167960
C 4.721513 -2.507919 -0.184916
H -0.859473 3.223593 -1.627099
H 0.039238 1.788659 -2.175420
H -0.725636 4.000084 0.752071
H 1.060589 3.887446 0.838191
H 1.277457 4.509159 -1.329887
H 2.249782 3.061589 -1.694692
H 1.224014 3.799654 -2.963496
H -0.918643 2.396342 2.701225
H 0.875911 2.265154 2.770207
H 0.072033 3.811709 3.135470
H -2.782258 -0.428885 -2.272451
H 2.986015 -0.231747 -2.106044
H -2.494555 -1.095732 2.001539
H 2.030532 -1.766993 1.837704
H 0.697381 -2.518085 -0.859966
H -5.017879 -1.584232 -2.308645
H 5.072799 -1.639836 -2.153906
H -4.726185 -2.259231 1.977674
H 4.109171 -3.186125 1.795389
H -5.987198 -2.503683 -0.181693
H 5.630114 -3.119460 -0.202975


