%chk=000202086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202086

0 1
O -1.964953 1.487936 -1.851016
N -0.920940 2.568682 -0.166083
N 4.830134 0.472664 0.836253
C -0.805805 0.062139 -0.230778
C -1.050363 -1.042885 -1.290797
C -1.672318 -0.191514 1.026791
C 0.680135 0.145671 0.079181
C -1.281899 1.408178 -0.842184
C 1.549767 0.680670 -0.891079
C 1.227308 -0.329256 1.278872
C -0.648713 -2.407198 -0.819487
C -3.150885 -0.072450 0.791896
C 2.918786 0.764498 -0.666524
C 2.597579 -0.256502 1.526272
C 3.455329 0.301098 0.556027
C -1.422643 -3.483928 -0.940450
C -4.040446 -0.092116 1.782674
H -0.490012 -0.799881 -2.220206
H -2.118868 -1.014969 -1.600871
H -1.368184 0.502039 1.838190
H -1.459200 -1.216768 1.406354
H 1.147325 1.038145 -1.842076
H 0.587294 -0.774673 2.041787
H 0.349957 -2.464585 -0.379827
H -3.461597 0.025651 -0.253136
H 3.569221 1.192611 -1.424820
H 2.997045 -0.621139 2.468623
H -0.315914 2.571341 0.635252
H -1.216550 3.465872 -0.517472
H -1.119271 -4.469663 -0.621039
H -2.414810 -3.467929 -1.367522
H -5.105177 -0.013386 1.617200
H -3.784373 -0.187641 2.826535
H 5.224541 -0.124095 1.548383
H 5.443800 0.578184 0.041679


%chk=000202086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202086

0 1
O -2.205733 1.553474 -1.737498
N -0.843777 2.593519 -0.182029
N 4.888903 0.298380 0.801247
C -0.835387 0.102430 -0.248044
C -1.082864 -0.990415 -1.352047
C -1.702670 -0.216410 1.017659
C 0.669296 0.175854 0.086155
C -1.343094 1.469204 -0.811352
C 1.583994 0.620089 -0.910201
C 1.221503 -0.230342 1.327939
C -0.625727 -2.373991 -0.945586
C -3.207389 -0.130213 0.799316
C 2.970098 0.665333 -0.685208
C 2.609971 -0.191947 1.573167
C 3.513166 0.256569 0.569149
C -1.425170 -3.469517 -0.889808
C -4.124935 -0.177278 1.796055
H -0.540941 -0.675341 -2.265719
H -2.152403 -0.996869 -1.620935
H -1.415786 0.464831 1.842405
H -1.445973 -1.244988 1.342699
H 1.199661 0.945190 -1.885386
H 0.569157 -0.594549 2.127533
H 0.442528 -2.478622 -0.701504
H -3.555866 -0.013001 -0.236556
H 3.641473 1.017182 -1.478452
H 2.998689 -0.516713 2.546476
H -0.081820 2.525437 0.491869
H -1.198353 3.507625 -0.461374
H -1.032686 -4.454594 -0.611388
H -2.495843 -3.411558 -1.123753
H -5.198456 -0.118456 1.585592
H -3.835665 -0.275048 2.851106
H 5.277202 -0.006178 1.688821
H 5.530192 0.605713 0.076256


