%chk=000232184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232184

0 1
O 0.345965 3.972617 0.397052
O -0.950229 0.153804 2.513153
O -0.945377 0.304224 -2.121253
O -1.703432 3.140500 -0.078504
N -0.716504 0.502547 0.212275
N 4.676765 -3.035687 0.072449
C 0.235689 1.622836 0.312478
C 1.361216 1.559682 -0.736877
C -1.258347 -0.144368 1.390615
C -1.253439 -0.043907 -1.012329
C -2.205366 -1.177421 0.859079
C -2.207683 -1.114743 -0.562257
C 2.246023 0.364189 -0.533907
C -0.541668 2.943024 0.165231
C -2.994450 -2.081612 1.536855
C -3.002093 -1.954393 -1.312522
C 3.203300 0.352217 0.492527
C 2.124144 -0.753052 -1.374815
C -3.810361 -2.946390 0.768711
C -3.814670 -2.883800 -0.619838
C 4.031722 -0.751519 0.679880
C 2.944765 -1.865272 -1.204701
C 3.902954 -1.872286 -0.168569
C -0.186822 5.322507 0.326835
H 0.683538 1.602042 1.352983
H 0.925603 1.556334 -1.763524
H 1.957411 2.498297 -0.675384
H -2.994616 -2.132602 2.626497
H -3.009524 -1.907216 -2.402278
H 3.303806 1.214571 1.151662
H 1.377748 -0.748926 -2.172849
H -4.443684 -3.669916 1.284703
H -4.452274 -3.557526 -1.194651
H 4.761432 -0.752736 1.484670
H 2.836058 -2.725700 -1.858751
H -0.577585 5.509812 -0.678262
H 0.691735 5.937102 0.548542
H -0.973752 5.444805 1.077906
H 5.537961 -2.898678 0.581639
H 4.799742 -3.657757 -0.713371


%chk=000232184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232184

0 1
O 0.272124 4.130683 0.201482
O -0.622287 0.019372 2.531174
O -1.144471 0.613717 -2.114439
O -1.815246 3.105194 0.076253
N -0.643500 0.575363 0.218383
N 4.535278 -3.197210 0.007495
C 0.250745 1.729570 0.315361
C 1.465096 1.664774 -0.669929
C -1.033514 -0.185330 1.362998
C -1.295131 0.127044 -0.966548
C -1.994229 -1.213225 0.855653
C -2.154442 -1.023862 -0.537791
C 2.282074 0.394847 -0.498533
C -0.573520 3.023558 0.171729
C -2.682930 -2.223663 1.542697
C -3.009826 -1.839411 -1.292694
C 3.136195 0.214063 0.620018
C 2.204025 -0.659152 -1.444021
C -3.551841 -3.054114 0.788385
C -3.712873 -2.864593 -0.607991
C 3.882478 -0.966204 0.795330
C 2.944885 -1.847373 -1.286824
C 3.797467 -2.022229 -0.159075
C -0.400683 5.450879 0.104993
H 0.639956 1.713061 1.353624
H 1.085296 1.743629 -1.702330
H 2.072753 2.563806 -0.465524
H -2.551207 -2.358285 2.620777
H -3.128688 -1.681129 -2.369083
H 3.224733 1.012912 1.368131
H 1.553057 -0.543900 -2.319652
H -4.109257 -3.852778 1.289528
H -4.392834 -3.519510 -1.163438
H 4.536530 -1.076931 1.669288
H 2.867489 -2.644387 -2.037003
H -0.960784 5.521102 -0.842096
H 0.416503 6.184351 0.140944
H -1.096359 5.584456 0.950152
H 5.137734 -3.323591 0.814884
H 4.474904 -3.949899 -0.671208


