%chk=000182772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182772

0 1
O 2.100536 -0.493278 -1.949575
O -2.925749 1.533790 -0.449394
O -4.302302 -0.076693 0.337041
N 2.549843 0.480410 0.056925
C 3.848008 1.011218 -0.447208
C 2.164229 0.833751 1.445960
C 1.745597 -0.266721 -0.802486
C 0.446541 -0.782376 -0.249989
C 5.021043 0.148189 0.013230
C 1.428114 2.171565 1.510947
C -0.711366 -0.006975 -0.360603
C 0.394303 -2.065388 0.311109
C -1.926100 -0.517500 0.119304
C -0.821913 -2.570278 0.781467
C -1.983466 -1.800122 0.688987
C -3.181772 0.266019 0.035595
C -4.076393 2.407805 -0.603954
H 3.811081 1.033427 -1.565547
H 3.970207 2.060214 -0.101608
H 1.528465 0.026133 1.875122
H 3.084966 0.872583 2.072202
H 5.103487 0.103845 1.104023
H 4.920678 -0.883704 -0.350130
H 5.968199 0.538455 -0.377278
H 2.022236 2.987840 1.083230
H 0.479938 2.142871 0.959384
H 1.194864 2.441398 2.547485
H -0.679637 0.985232 -0.821875
H 1.300616 -2.670880 0.372406
H -0.865328 -3.569407 1.214789
H -2.940750 -2.186835 1.051799
H -4.564884 2.548665 0.365425
H -4.772184 1.970887 -1.327601
H -3.623307 3.332162 -0.976682


%chk=000182772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182772

0 1
O 2.631722 -1.302042 -1.344078
O -2.712945 1.588076 -0.069382
O -4.259549 -0.121615 0.266397
N 2.449365 0.541622 0.062488
C 3.817499 0.949234 -0.355586
C 1.899433 1.213169 1.265439
C 1.935917 -0.613605 -0.523207
C 0.526196 -1.055044 -0.200830
C 4.928356 0.198612 0.410980
C 1.426241 2.662065 1.017768
C -0.573356 -0.167345 -0.155053
C 0.294867 -2.449619 -0.067313
C -1.885870 -0.662317 0.048686
C -1.009431 -2.943418 0.149962
C -2.102774 -2.054296 0.211203
C -3.069923 0.242844 0.096279
C -3.839780 2.548970 -0.044927
H 3.912476 0.738666 -1.433722
H 3.907085 2.040328 -0.204214
H 1.069687 0.606620 1.662112
H 2.689603 1.217531 2.044092
H 4.855044 0.360124 1.502365
H 4.861905 -0.882422 0.205032
H 5.922420 0.553759 0.082985
H 2.244114 3.296689 0.632471
H 0.596488 2.698827 0.291042
H 1.072269 3.107635 1.965489
H -0.435598 0.905684 -0.305599
H 1.147149 -3.130962 -0.156655
H -1.173564 -4.020226 0.261076
H -3.124961 -2.412962 0.370307
H -4.356576 2.507284 0.928685
H -4.560721 2.312745 -0.845404
H -3.374988 3.531691 -0.206388


