%chk=000229442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229442

0 1
O 0.928174 -0.772224 2.800778
O 1.007259 3.352194 0.710044
O -3.251498 0.125248 -2.840554
N 0.630287 1.194851 -0.159535
N 1.085339 1.430426 2.070456
N -1.712994 -0.320966 -0.605214
N -3.001106 -0.758920 -0.671808
N -5.083441 -0.816983 -1.815116
C 0.480563 -0.176255 0.410588
C 1.430584 -1.175770 -0.272380
C 2.909655 -0.794612 -0.142060
C 0.858499 0.043019 1.919215
C 3.805808 -1.804658 -0.872807
C -0.942305 -0.714233 0.364575
C 0.896495 2.158806 0.833896
C 5.281498 -1.434721 -0.746493
C -3.731330 -0.408425 -1.868643
H 1.154557 -1.251026 -1.346055
H 1.262929 -2.184504 0.159474
H 3.078334 0.221378 -0.553673
H 3.201380 -0.742571 0.925337
H 0.168090 1.431092 -1.037162
H 3.524461 -1.854679 -1.943347
H 3.640230 -2.821913 -0.466456
H -1.174775 -1.426593 1.168584
H 1.374298 1.880738 2.934210
H 5.606625 -1.415560 0.300250
H 5.488891 -0.445463 -1.171353
H 5.916814 -2.156059 -1.273080
H -3.371971 -1.461476 -0.021287
H -5.569579 -0.922515 -0.938960
H -5.672172 -0.483924 -2.573225


%chk=000229442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229442

0 1
O 0.861886 -0.783304 2.813183
O 1.048298 3.377947 0.598012
O -3.460603 0.595184 -2.659351
N 0.574342 1.169087 -0.175619
N 1.125591 1.432917 1.989486
N -1.748314 -0.238247 -0.609271
N -3.018791 -0.741102 -0.756061
N -5.132387 -0.766177 -1.762273
C 0.456468 -0.176948 0.408222
C 1.454174 -1.209656 -0.217673
C 2.940638 -0.809489 -0.112893
C 0.829007 0.077516 1.901079
C 3.862132 -1.820497 -0.833651
C -0.961078 -0.726963 0.310030
C 0.923762 2.142351 0.750227
C 5.355185 -1.443086 -0.727001
C -3.845887 -0.231039 -1.797591
H 1.167632 -1.338774 -1.279948
H 1.290871 -2.181031 0.289213
H 3.084762 0.197556 -0.550895
H 3.239420 -0.746755 0.952942
H 0.096632 1.410615 -1.045851
H 3.570601 -1.883774 -1.901930
H 3.703620 -2.831334 -0.405554
H -1.213878 -1.550069 1.005391
H 1.414057 1.914004 2.841990
H 5.680674 -1.407184 0.329650
H 5.545368 -0.447769 -1.170642
H 5.994635 -2.175501 -1.252735
H -3.358231 -1.499178 -0.146552
H -5.491050 -1.352644 -1.011291
H -5.769940 -0.462954 -2.494443


