%chk=000279852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279852

0 1
O 0.856475 2.444484 0.384929
O 2.383775 -0.519490 0.309592
O 1.772765 -2.362342 -0.848863
O -4.292533 -1.088564 0.325447
O -2.862158 -2.461376 -0.537631
N -3.169418 -1.381483 -0.058781
C 1.607083 0.328090 -0.587505
C 2.061933 1.767569 -0.197871
C 0.149585 0.314618 -0.239281
C -0.193042 1.575806 0.326435
C 2.497169 2.615899 -1.366115
C -0.811680 -0.665882 -0.375001
C -1.482916 1.884016 0.768000
C -2.120401 -0.362839 0.067013
C -2.447980 0.889412 0.629339
C 2.380088 -1.888123 0.078688
C 3.209703 -2.545991 1.119750
H 1.828840 0.027101 -1.631371
H 2.783807 1.758972 0.648055
H 1.756190 2.624368 -2.178076
H 2.631082 3.665864 -1.061115
H 3.451921 2.270793 -1.784882
H -0.576833 -1.650704 -0.805752
H -1.713180 2.855476 1.199273
H -3.480480 1.070595 0.957328
H 2.601775 -3.250795 1.712860
H 3.662650 -1.827033 1.821964
H 4.023579 -3.131842 0.661872


%chk=000279852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279852

0 1
O 0.922926 2.436086 0.547474
O 2.410690 -0.510828 0.484937
O 2.019231 -2.346366 -0.900428
O -4.372251 -1.059198 0.200167
O -2.868329 -2.430063 -0.834171
N -3.180081 -1.333115 -0.223778
C 1.662328 0.349097 -0.501185
C 2.085798 1.813666 -0.215398
C 0.176932 0.348007 -0.218239
C -0.154421 1.568125 0.428504
C 2.328357 2.654124 -1.469738
C -0.803384 -0.624098 -0.449610
C -1.457594 1.849121 0.888421
C -2.115714 -0.336899 0.002014
C -2.446277 0.872883 0.665926
C 2.508788 -1.874211 0.149411
C 3.244906 -2.634421 1.227252
H 1.925265 -0.001058 -1.513129
H 2.940820 1.841839 0.478499
H 1.463832 2.608666 -2.155382
H 2.499761 3.708057 -1.195595
H 3.221060 2.284200 -2.006252
H -0.583766 -1.572759 -0.945797
H -1.685751 2.792883 1.389378
H -3.478738 1.027394 0.990216
H 2.556785 -2.831954 2.069366
H 4.090048 -2.046067 1.618408
H 3.596578 -3.596512 0.827028


