%chk=000216198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216198

0 1
O 3.305828 -2.075873 -1.431447
O 1.277981 1.124782 1.464123
O 3.462455 -2.864711 0.658773
O -2.729058 1.805876 -0.986407
O -4.343486 0.772800 0.838987
N 1.915237 0.054687 -0.451677
N 0.286753 2.962056 -0.759832
C 1.642524 -1.285397 0.099846
C 0.426879 -1.972971 -0.560089
C -0.854715 -1.280026 -0.185810
C 1.687887 2.532539 -0.483579
C 1.582439 1.199347 0.290069
C 2.882634 -2.156186 -0.122835
C -1.193460 -0.067617 -0.818192
C -1.696728 -1.818616 0.788363
C -2.352920 0.605284 -0.443727
C 2.502773 3.515357 0.357795
C -2.883023 -1.160348 1.151582
C -3.213678 0.049396 0.545524
H 1.470486 -1.194589 1.218396
H 0.546625 -1.993631 -1.664770
H 0.396314 -3.040860 -0.254235
H 2.069640 0.094488 -1.457945
H 2.191139 2.391125 -1.476902
H -0.547263 0.359783 -1.582143
H -1.441246 -2.753017 1.284641
H 3.539379 3.176406 0.482990
H 2.087158 3.621207 1.372208
H 2.538935 4.511401 -0.095461
H -3.530288 -1.592854 1.910263
H 0.283186 3.906736 -1.141411
H -0.253994 2.996886 0.109132
H 4.119255 -2.621872 -1.606108
H -2.012652 2.159455 -1.586043
H -4.874595 0.331955 1.549321


%chk=000216198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216198

0 1
O 3.668156 -1.736525 -1.163501
O 1.001779 1.166531 1.515578
O 3.286859 -3.125535 0.664759
O -2.328291 2.000048 -0.887880
O -4.313563 0.890386 0.735014
N 1.851899 0.056618 -0.358662
N 0.005385 3.110781 -0.201176
C 1.693040 -1.303172 0.168204
C 0.481232 -2.062090 -0.524044
C -0.844102 -1.371253 -0.259080
C 1.325347 2.477866 -0.523999
C 1.380553 1.170499 0.304903
C 2.948586 -2.142752 -0.023227
C -1.115003 -0.110005 -0.845726
C -1.798047 -1.908633 0.635967
C -2.220114 0.684178 -0.463852
C 2.535074 3.380512 -0.172596
C -2.978092 -1.186292 0.933997
C -3.192540 0.109118 0.408890
H 1.484806 -1.219805 1.247961
H 0.701994 -2.118036 -1.608538
H 0.470300 -3.095292 -0.131327
H 2.181196 0.141986 -1.322748
H 1.338791 2.244852 -1.606219
H -0.439500 0.305998 -1.601177
H -1.624892 -2.882898 1.106988
H 3.490520 2.894083 -0.441522
H 2.548585 3.590690 0.911507
H 2.476609 4.339008 -0.720897
H -3.721925 -1.619356 1.616958
H -0.004245 4.108885 -0.456769
H -0.163668 3.003020 0.815822
H 4.449539 -2.338188 -1.295427
H -1.380674 2.449292 -0.793117
H -4.907191 0.388478 1.348335


