%chk=000220439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220439

0 1
O 3.423495 -0.417832 -0.000067
O -3.481436 -0.125509 -0.000074
N 0.721943 0.592367 0.000069
C -0.689074 0.676643 0.000044
C 1.101681 -0.775670 0.000057
C -1.194201 -0.658717 0.000022
C -0.085273 -1.530347 0.000025
C 1.522210 1.730839 0.000095
C -1.301617 1.955823 0.000006
C 2.499588 -1.212773 -0.000010
C -2.621481 -0.987412 0.000048
C 0.910600 2.963543 0.000072
C -0.510729 3.079358 0.000016
C 2.735528 -2.694730 -0.000045
C -2.984354 -2.447639 0.000250
H -0.133741 -2.605899 0.000016
H 2.615489 1.577112 0.000118
H -2.399289 1.987848 -0.000030
H 1.518080 3.869313 0.000106
H -0.956044 4.075263 -0.000025
H 2.305819 -3.177915 -0.887276
H 2.304683 -3.178287 0.886412
H 3.814817 -2.917239 0.000575
H -2.596957 -2.962561 0.887568
H -2.596231 -2.963094 -0.886427
H -4.077904 -2.576186 -0.000145


%chk=000220439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220439

0 1
O 3.487116 -0.401700 -0.000033
O -3.544436 -0.113125 0.000087
N 0.725255 0.607218 0.000033
C -0.693092 0.691932 0.000069
C 1.111888 -0.765640 0.000052
C -1.207668 -0.651947 0.000103
C -0.083103 -1.521968 0.000091
C 1.525935 1.742182 -0.000007
C -1.307525 1.969251 0.000071
C 2.500867 -1.216514 0.000004
C -2.634924 -1.006513 0.000159
C 0.920316 2.995299 -0.000008
C -0.504186 3.116906 0.000033
C 2.740596 -2.725280 0.000011
C -3.001916 -2.489894 0.000141
H -0.118256 -2.610503 0.000105
H 2.601528 1.557348 -0.000037
H -2.398744 2.001031 0.000105
H 1.558923 3.882280 -0.000040
H -0.965513 4.109085 0.000035
H 2.294929 -3.199924 -0.893370
H 2.293947 -3.200159 0.892768
H 3.825817 -2.907351 0.000559
H -2.592454 -2.998646 0.892846
H -2.591834 -2.998842 -0.892164
H -4.097863 -2.588226 -0.000213


