%chk=000117022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117022

0 1
O 3.731696 0.328874 -0.853824
O 3.177532 -1.649509 -0.182272
N -2.308968 -2.378218 0.099168
N -2.351128 1.299217 0.537814
N 2.919557 -0.476508 -0.418186
C -0.701290 -0.484982 0.586452
C -1.056911 0.879245 0.312099
C -1.700668 -1.484348 1.122021
C 0.597218 -0.903371 0.344143
C -0.071074 1.771566 -0.196709
C 1.561036 -0.010157 -0.167106
C 1.217573 1.329943 -0.433153
C -3.178202 -1.660500 -0.873061
C -2.797949 2.689749 0.340097
H -1.204774 -2.150057 1.871147
H -2.516813 -0.983957 1.689736
H 0.898782 -1.939270 0.547766
H -0.325398 2.807574 -0.404068
H 1.982527 2.010000 -0.826875
H -1.563014 -2.862538 -0.415730
H -3.034906 0.649231 0.918086
H -4.057357 -1.251023 -0.352024
H -3.556578 -2.391232 -1.608477
H -2.684330 -0.845765 -1.424405
H -2.237781 3.393629 0.983541
H -3.868291 2.781390 0.590012
H -2.668587 3.007217 -0.711492


%chk=000117022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117022

0 1
O 3.827386 0.409410 -0.849140
O 3.248791 -1.683253 -0.133812
N -2.363819 -2.365900 0.079954
N -2.347664 1.332707 0.553161
N 2.962450 -0.443199 -0.391860
C -0.691950 -0.487008 0.588392
C -1.057132 0.884439 0.315367
C -1.694831 -1.531005 1.105837
C 0.632392 -0.888979 0.354264
C -0.065273 1.785282 -0.192738
C 1.593459 0.015204 -0.156748
C 1.246522 1.358600 -0.430083
C -3.245447 -1.673091 -0.876555
C -2.794921 2.708072 0.328893
H -1.157613 -2.221220 1.781389
H -2.485318 -1.063116 1.727841
H 0.948482 -1.915830 0.568210
H -0.330532 2.825527 -0.400113
H 2.008850 2.039008 -0.818983
H -1.696243 -2.990424 -0.389513
H -3.036360 0.657427 0.878443
H -4.093208 -1.212535 -0.331046
H -3.676120 -2.414116 -1.572523
H -2.753575 -0.876458 -1.482437
H -2.224722 3.429357 0.946454
H -3.858404 2.789978 0.605134
H -2.693297 3.007324 -0.733089


