%chk=000245708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245708

0 1
O 5.064941 0.154567 -0.202421
O -5.533388 -0.287642 -0.536333
N 2.247859 -0.232760 0.103623
C 2.842045 1.144643 0.073198
C 3.067494 -1.154513 -0.751907
C 0.819490 -0.218027 -0.353478
C 4.285192 1.068730 0.595873
C 4.506217 -1.175131 -0.210955
C -0.068809 0.293629 0.797785
C -1.521486 0.166246 0.436916
C -2.185094 1.216543 -0.212327
C -2.222441 -1.015730 0.742630
C -3.535052 1.105706 -0.557344
C -3.566566 -1.153022 0.410510
C -4.205232 -0.082071 -0.238356
H 0.653536 0.393079 -1.265712
H 0.513990 -1.256622 -0.610519
H 2.236620 1.801516 0.733398
H 2.833301 1.597740 -0.941494
H 3.073417 -0.861558 -1.823635
H 2.629669 -2.173394 -0.687695
H 4.828629 2.020361 0.465605
H 4.321761 0.744455 1.650888
H 4.551974 -1.589844 0.811601
H 5.196490 -1.718367 -0.879144
H 0.185706 1.343555 1.044447
H 0.163441 -0.277521 1.722371
H -1.647448 2.133235 -0.453155
H -1.706867 -1.834043 1.246497
H -4.044959 1.921463 -1.057812
H -4.127113 -2.056438 0.639169
H -5.937420 0.492815 -0.985924


%chk=000245708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245708

0 1
O 5.142477 0.181963 -0.281664
O -5.616449 -0.316783 -0.615500
N 2.285536 -0.240874 0.099658
C 2.877532 1.122089 0.131923
C 3.091213 -1.120850 -0.788596
C 0.849209 -0.245644 -0.268845
C 4.341998 1.051809 0.595615
C 4.549814 -1.165932 -0.305476
C -0.066311 0.327266 0.846018
C -1.537616 0.194060 0.483198
C -2.211805 1.215574 -0.231225
C -2.266899 -0.980824 0.808609
C -3.565467 1.078409 -0.611403
C -3.617491 -1.137477 0.438714
C -4.266337 -0.104066 -0.275055
H 0.659565 0.313636 -1.221415
H 0.552895 -1.296200 -0.453032
H 2.311090 1.755335 0.838740
H 2.833109 1.606498 -0.877609
H 3.071871 -0.763943 -1.849779
H 2.664363 -2.141593 -0.763769
H 4.823004 2.042794 0.545999
H 4.380266 0.668232 1.638189
H 4.589868 -1.610544 0.712569
H 5.179954 -1.753929 -0.993215
H 0.178874 1.391724 1.020867
H 0.161840 -0.218365 1.780224
H -1.675624 2.136922 -0.490018
H -1.770735 -1.783750 1.367701
H -4.068661 1.885687 -1.160177
H -4.181611 -2.039345 0.694479
H -5.979574 0.459723 -1.109426


