%chk=000225221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225221

0 1
O 2.991647 0.537030 -0.257755
O -2.071557 2.499362 0.112882
O -3.636534 -1.848770 0.095005
N 0.780581 1.303530 -0.077610
N -1.354329 -1.586354 -0.030352
N -2.856269 0.332619 0.102798
N 1.076462 -0.995412 -0.157223
C -0.501957 0.701736 -0.025606
C -0.281580 -0.702331 -0.072270
C 1.684129 0.251340 -0.166971
C -1.798593 1.314803 0.065678
C -2.693076 -1.081238 0.058862
C 3.945594 -0.626233 -0.233988
C 1.047025 2.742159 -0.095521
C -1.122374 -3.049952 -0.081701
C -4.263223 0.812142 0.194258
C 5.204507 0.041620 -0.754332
C 4.042002 -1.128503 1.190736
H 3.541746 -1.391432 -0.932526
H 1.753066 3.016743 0.709155
H 1.480465 3.051351 -1.064340
H 0.099700 3.307450 0.056820
H -2.089508 -3.588853 -0.066597
H -0.519623 -3.371636 0.785808
H -0.576866 -3.317670 -1.004086
H -4.280550 1.917661 0.242007
H -4.749967 0.406992 1.098071
H -4.839932 0.483240 -0.687231
H 6.036512 -0.670831 -0.808954
H 5.051349 0.459544 -1.758905
H 5.520537 0.874266 -0.110635
H 4.844784 -1.866729 1.304217
H 3.105223 -1.614774 1.506737
H 4.236807 -0.314769 1.901071


%chk=000225221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225221

0 1
O 2.970393 0.597675 -0.175121
O -2.152794 2.567822 0.095867
O -3.651292 -1.908329 0.070612
N 0.734756 1.359664 -0.052641
N -1.332818 -1.550058 -0.020730
N -2.875482 0.304745 0.078064
N 1.056159 -0.916864 -0.104294
C -0.543905 0.756323 -0.014756
C -0.300566 -0.625737 -0.048189
C 1.639580 0.315346 -0.107016
C -1.857070 1.329590 0.056174
C -2.676345 -1.102421 0.043379
C 3.914779 -0.588948 -0.214614
C 1.044545 2.798130 -0.059708
C -1.047899 -2.996479 -0.058015
C -4.288359 0.742995 0.145027
C 5.209275 -0.030810 -0.805225
C 4.063539 -1.161952 1.200119
H 3.449873 -1.336224 -0.884161
H 1.722491 3.044302 0.774539
H 1.531404 3.081824 -1.008573
H 0.096942 3.347219 0.049178
H -2.012798 -3.523845 -0.045867
H -0.444524 -3.288384 0.818189
H -0.486567 -3.248434 -0.973375
H -4.288155 1.842782 0.154050
H -4.765320 0.348614 1.057305
H -4.844343 0.361723 -0.727000
H 5.957649 -0.838721 -0.892041
H 5.034988 0.393825 -1.808313
H 5.624037 0.760316 -0.156212
H 4.769423 -2.012561 1.183023
H 3.094594 -1.528445 1.577345
H 4.460008 -0.396582 1.890483


