%chk=000211543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211543

0 1
O 0.272393 -1.736599 0.767334
N 2.465511 0.426737 -0.924331
N 3.414551 0.681263 0.126681
N -0.331630 -0.090472 -0.729208
C 1.973756 -0.998751 -0.790922
C 2.990225 -1.740322 0.103449
C 3.963689 -0.649585 0.588010
C 0.575834 -0.972340 -0.132724
C 3.142580 0.651332 -2.241479
C 2.707657 1.396104 1.237593
C -1.654315 0.158156 -0.205416
C -2.615343 -0.877670 -0.165015
C -1.987664 1.467922 0.217663
C -3.906555 -0.582961 0.302378
C -3.287883 1.728931 0.667068
C -2.287567 -2.266032 -0.598174
C -0.980898 2.572427 0.183593
C -4.239540 0.707252 0.711923
H 1.869498 -1.497920 -1.782868
H 3.510454 -2.534567 -0.453763
H 2.481627 -2.241925 0.953531
H 4.113948 -0.681257 1.681939
H 4.963799 -0.760414 0.120496
H 3.968630 -0.041322 -2.459185
H 3.558522 1.674948 -2.251150
H 2.389703 0.582520 -3.039808
H 3.458047 1.685862 1.989176
H 1.913941 0.813901 1.730933
H 2.259964 2.321717 0.839150
H 0.038131 0.652873 -1.331418
H -4.653798 -1.373236 0.345404
H -3.557687 2.731927 0.990490
H -1.582350 -2.728827 0.122021
H -3.167405 -2.916198 -0.657183
H -1.794681 -2.282938 -1.579240
H -1.300876 3.445021 0.768969
H -0.009994 2.255790 0.594798
H -0.806801 2.923661 -0.843397
H -5.245672 0.920395 1.070184


%chk=000211543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211543

0 1
O 0.048026 -2.359591 0.515172
N 2.340167 0.168090 -1.000638
N 3.518451 0.753787 -0.303755
N -0.221457 -0.146735 -0.282981
C 1.997556 -1.159502 -0.353830
C 2.914630 -1.255589 0.898309
C 4.120911 -0.386089 0.464409
C 0.499406 -1.291697 0.002071
C 2.611954 0.054350 -2.456772
C 3.085621 1.882823 0.561990
C -1.612936 0.101203 -0.039747
C -2.616903 -0.779139 -0.541831
C -1.958476 1.286890 0.677894
C -3.972951 -0.466084 -0.269883
C -3.324081 1.567834 0.912218
C -2.273861 -1.995981 -1.375743
C -0.880226 2.222803 1.195255
C -4.330815 0.691372 0.451721
H 2.239158 -1.995912 -1.043184
H 3.180606 -2.298706 1.127786
H 2.413377 -0.829622 1.785050
H 4.716657 -0.001365 1.308875
H 4.791748 -0.956304 -0.204885
H 3.477892 -0.604869 -2.684378
H 2.818771 1.056551 -2.863282
H 1.712072 -0.353021 -2.952883
H 3.985867 2.349732 0.999280
H 2.394116 1.592904 1.386439
H 2.578904 2.632192 -0.067343
H 0.405543 0.614226 -0.608038
H -4.753197 -1.137816 -0.646613
H -3.595573 2.472493 1.468837
H -1.821574 -2.784980 -0.747946
H -3.174060 -2.398955 -1.870291
H -1.529202 -1.749325 -2.156346
H -1.319722 3.022511 1.814804
H -0.137004 1.680082 1.809326
H -0.321831 2.712404 0.372463
H -5.385763 0.914439 0.645972


