%chk=000247622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247622

0 1
O -0.018539 -1.731593 0.081016
O -5.742710 -1.680622 1.297849
O 5.704459 -1.899121 -1.131638
O -6.587473 2.772525 0.398917
O 6.637688 2.597577 -0.620830
N -2.967892 -1.234681 0.000534
N 2.940141 -1.287956 0.120369
N -4.518856 1.984028 -0.227683
N 4.554686 1.907101 0.070241
N -2.361563 0.832608 -0.782646
N 2.375523 0.850988 0.721055
N -6.174115 0.536265 0.835751
N 6.180098 0.340289 -0.862290
C -4.056188 -0.378430 0.216885
C 4.044925 -0.475353 -0.168506
C -3.652958 0.894288 -0.285117
C 3.667407 0.843787 0.221048
C -1.968357 -0.478208 -0.593417
C 1.956312 -0.463267 0.645797
C -0.625847 -0.995425 -1.001161
C 0.604227 -0.916560 1.095792
C -5.342583 -0.634547 0.824394
C 5.325496 -0.808456 -0.750458
C -5.821263 1.830163 0.339918
C 5.853252 1.679004 -0.480890
C -2.933946 -2.653443 0.358356
C 2.877814 -2.731429 -0.113262
C -4.092999 3.303910 -0.753323
C 4.155014 3.275876 0.478246
C -7.545518 0.416357 1.405026
C 7.548667 0.142481 -1.416458
H -0.702335 -1.765977 -1.796700
H 0.034115 -0.167578 -1.339150
H 0.666224 -1.616647 1.955162
H -0.038934 -0.049659 1.360241
H -1.937015 -2.932000 0.752886
H -3.704558 -2.880092 1.129131
H -3.156191 -3.286049 -0.521602
H 3.088451 -3.289724 0.818321
H 1.875160 -3.023350 -0.482846
H 3.642986 -3.039161 -0.861002
H -3.170653 3.637529 -0.244410
H -4.888418 4.055473 -0.586224
H -3.886846 3.235228 -1.836378
H 3.243162 3.584605 -0.064157
H 4.967712 3.993201 0.253688
H 3.941227 3.304239 1.561638
H -7.615055 -0.492950 2.031102
H -8.292134 0.346729 0.595685
H -7.784882 1.299718 2.023919
H 8.289120 0.090037 -0.600235
H 7.821427 0.982354 -2.080622
H 7.588640 -0.801178 -1.992164


%chk=000247622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247622

0 1
O -0.025227 -1.998255 0.074522
O -6.012133 -1.697733 0.774895
O 5.982776 -1.874070 -0.578395
O -6.172085 3.013185 0.921747
O 6.236090 2.801249 -1.142375
N -3.078684 -1.331437 -0.243429
N 3.043475 -1.365190 0.358092
N -4.159889 2.032276 0.217051
N 4.196316 1.923640 -0.382925
N -2.161180 0.751642 -0.483043
N 2.164292 0.747578 0.400481
N -6.063671 0.672636 0.827290
N 6.081875 0.480928 -0.839314
C -4.069111 -0.405286 0.110545
C 4.055921 -0.492741 -0.063170
C -3.472958 0.857922 -0.050731
C 3.482927 0.790685 -0.022102
C -1.951631 -0.595664 -0.594640
C 1.927550 -0.580265 0.629225
C -0.659296 -1.219920 -1.023186
C 0.621407 -1.139631 1.102822
C -5.419919 -0.589172 0.581199
C 5.409690 -0.742037 -0.493608
C -5.499498 1.974407 0.667768
C 5.540969 1.801715 -0.805177
C -3.221286 -2.800783 -0.260654
C 3.155635 -2.829636 0.507233
C -3.503347 3.341571 0.033763
C 3.563281 3.255897 -0.326447
C -7.464860 0.648859 1.308881
C 7.489719 0.388628 -1.292189
H -0.808641 -1.968196 -1.820491
H 0.010337 -0.420812 -1.388336
H 0.754069 -1.818422 1.962880
H -0.032965 -0.298759 1.394475
H -2.319069 -3.257754 0.174864
H -4.113753 -3.068801 0.324322
H -3.358195 -3.163821 -1.295056
H 3.271848 -3.101766 1.571644
H 2.249389 -3.305576 0.101374
H 4.049307 -3.166014 -0.039258
H -2.591680 3.395173 0.651627
H -4.219310 4.118264 0.338746
H -3.220611 3.479535 -1.023411
H 2.669155 3.276282 -0.971477
H 4.303308 3.990729 -0.674691
H 3.256324 3.485857 0.707649
H -7.769277 -0.405287 1.381011
H -8.114232 1.194032 0.604926
H -7.534651 1.139716 2.293256
H 8.134748 0.999190 -0.639994
H 7.582254 0.769080 -2.322627
H 7.780601 -0.670747 -1.245765


