%chk=000200304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200304

0 1
O -0.622951 2.165993 0.633383
O -1.875907 -2.269832 0.350908
O -2.866914 1.795387 -1.194402
N -1.244033 -0.050034 0.523235
N 0.348171 -1.817687 -0.034496
N 2.246889 1.217836 -0.069234
N 2.686922 -0.998619 -0.430041
C 1.036873 0.528499 0.104661
C 1.342309 -0.844759 -0.128163
C -0.282160 1.013111 0.427698
C -2.664380 0.325971 0.791021
C -0.991012 -1.438256 0.273884
C 3.210105 0.273716 -0.387290
C 0.668637 -3.240162 -0.307098
C -3.418304 0.673904 -0.500037
C 2.411516 2.665667 0.062208
H -2.664630 1.193916 1.493443
H -3.172239 -0.523289 1.310404
H 4.251638 0.500054 -0.580720
H 0.984056 -3.368074 -1.358197
H -0.218776 -3.874419 -0.119172
H 1.494912 -3.573838 0.346582
H -4.477661 0.907786 -0.276379
H -3.372274 -0.141049 -1.250195
H 3.131971 2.914360 0.862132
H 2.757843 3.115021 -0.886440
H 1.438164 3.145351 0.323634
H -2.433962 2.424746 -0.569128


%chk=000200304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200304

0 1
O -0.669026 2.231413 0.512740
O -1.906371 -2.314265 0.325271
O -2.932717 1.814560 -1.196541
N -1.245366 -0.061595 0.458044
N 0.350139 -1.800631 -0.056669
N 2.237121 1.223500 -0.086830
N 2.663694 -1.001686 -0.428883
C 1.023180 0.541134 0.098012
C 1.322686 -0.815488 -0.124338
C -0.306632 1.013112 0.363983
C -2.651337 0.303628 0.789481
C -0.986769 -1.452290 0.243188
C 3.180009 0.256901 -0.392188
C 0.700380 -3.213541 -0.307757
C -3.487564 0.686921 -0.446486
C 2.456288 2.673773 0.069900
H -2.600103 1.155266 1.490406
H -3.109739 -0.566061 1.287220
H 4.224075 0.495872 -0.580789
H 1.109337 -3.324888 -1.325613
H -0.217248 -3.808790 -0.197807
H 1.461708 -3.546531 0.416893
H -4.515051 0.923134 -0.093034
H -3.548358 -0.162527 -1.148532
H 2.901477 2.895970 1.055295
H 3.125972 3.037197 -0.726319
H 1.482984 3.182319 0.000655
H -2.357967 2.354892 -0.587098


