%chk=000243227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243227

0 1
O -0.675716 0.878655 0.707046
O -1.388764 0.586211 -1.892530
O 2.533323 3.092905 1.467464
O 0.387224 2.839337 1.588181
O 4.515098 -2.454959 -0.462099
O 5.390112 -0.604795 0.242471
N 1.507403 2.445307 1.330264
N 4.438382 -1.313797 -0.035021
C -1.850708 0.166946 0.362138
C 0.521124 0.274709 0.499993
C -2.287264 0.099579 -0.983527
C -4.338950 -0.939814 -0.217716
C 1.653733 1.074698 0.817847
C -3.537518 -0.459610 -1.267963
C -2.642476 -0.307945 1.406628
C -3.887834 -0.864262 1.112008
C 0.691479 -1.047682 0.022186
C 2.941807 0.548398 0.634954
C 3.092249 -0.755301 0.157650
C 1.962111 -1.556479 -0.148102
C -5.678134 -1.520869 -0.525215
C -1.787222 0.619616 -3.288554
H -3.900156 -0.518265 -2.290111
H -2.286265 -0.225810 2.435438
H -4.514886 -1.233066 1.921918
H -0.187284 -1.650687 -0.214676
H 3.826095 1.168523 0.870049
H 2.121085 -2.578660 -0.518544
H -5.642013 -2.217244 -1.375380
H -6.109821 -2.073255 0.321103
H -6.397410 -0.728740 -0.788366
H -2.668599 1.255027 -3.416293
H -1.949822 -0.395118 -3.661313
H -0.902783 1.077548 -3.754130


%chk=000243227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243227

0 1
O -0.726200 0.792730 0.939170
O -1.272949 0.501250 -1.751453
O 2.486148 3.293758 0.979977
O 0.650668 2.734782 2.217431
O 4.534335 -2.431415 -0.728943
O 5.451279 -0.447207 -0.066242
N 1.583403 2.456283 1.376811
N 4.442044 -1.227080 -0.267077
C -1.919731 0.127640 0.516604
C 0.515099 0.260795 0.642130
C -2.247125 0.035603 -0.865876
C -4.425893 -0.940842 -0.247638
C 1.671429 1.075468 0.843008
C -3.499282 -0.507444 -1.232915
C -2.828500 -0.283186 1.501134
C -4.078362 -0.823329 1.119766
C 0.692304 -1.059220 0.147549
C 2.956314 0.599316 0.529057
C 3.093172 -0.714445 0.048855
C 1.969600 -1.553754 -0.139977
C -5.776523 -1.495374 -0.666132
C -1.598363 0.518339 -3.182940
H -3.770287 -0.589285 -2.290724
H -2.552034 -0.165873 2.553109
H -4.784943 -1.147096 1.890824
H -0.189104 -1.688299 -0.003416
H 3.829940 1.243153 0.658040
H 2.118763 -2.571169 -0.510174
H -5.679043 -2.227661 -1.488040
H -6.283969 -1.995922 0.175558
H -6.443950 -0.688470 -1.024851
H -2.487306 1.147144 -3.378368
H -1.767789 -0.505377 -3.567748
H -0.715547 0.957287 -3.668708


