%chk=000227824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227824

0 1
O 0.771868 1.505179 1.577633
O -1.077308 -2.829882 0.130665
O 0.652513 -1.732496 -0.759967
N 1.421656 0.922511 -0.544024
C -0.944637 0.758677 0.091617
C -1.404388 -0.526630 -0.238399
C 0.485362 1.060037 0.479108
C -1.849380 1.826711 0.135619
C -2.767104 -0.737208 -0.504350
C 2.869062 1.045606 -0.231997
C -3.201899 1.616861 -0.151131
C -3.661498 0.334976 -0.468020
C -0.480002 -1.682601 -0.327868
C 3.567976 -0.286682 -0.248702
C 4.893483 -0.401565 -0.231302
H -1.493341 2.823459 0.409921
H -3.122041 -1.745661 -0.732958
H 1.202577 0.335820 -1.355038
H 3.316221 1.745028 -0.976982
H 2.993248 1.528378 0.773002
H -3.899498 2.455268 -0.118397
H -4.717996 0.169106 -0.680325
H 2.910003 -1.162927 -0.267468
H 5.401105 -1.355754 -0.232186
H 5.574736 0.436297 -0.210425
H -0.469616 -3.620808 0.077675


%chk=000227824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227824

0 1
O 0.728489 2.261573 0.891852
O -1.323028 -2.933614 -0.679354
O 0.547117 -1.755094 -1.280736
N 1.564338 0.590600 -0.480986
C -0.912607 0.746691 -0.043684
C -1.437459 -0.544100 -0.414509
C 0.533931 1.230427 0.161240
C -1.852999 1.765764 0.271694
C -2.851023 -0.745519 -0.432138
C 2.958941 1.049062 -0.331074
C -3.244049 1.561318 0.215601
C -3.751146 0.290883 -0.135215
C -0.627456 -1.729175 -0.817328
C 3.807865 0.053526 0.437568
C 4.962549 -0.487512 -0.023406
H -1.438711 2.726235 0.591752
H -3.226593 -1.737890 -0.691876
H 1.375436 -0.284172 -1.000462
H 3.396451 1.227750 -1.331618
H 2.914412 2.013634 0.208054
H -3.924843 2.385046 0.455431
H -4.829756 0.107062 -0.171638
H 3.433333 -0.211053 1.437130
H 5.552694 -1.184996 0.581070
H 5.354202 -0.242851 -1.019178
H -0.738988 -3.671894 -1.002487


