%chk=000244151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244151

0 1
O 2.997120 2.556243 0.593988
O -3.880365 -1.290216 0.675602
N 0.686528 -2.286692 -0.689915
N -3.278205 0.745706 -0.117068
C -0.625673 -0.962716 0.633269
C 0.599929 -0.252154 0.374292
C -0.545643 -2.198656 -0.017347
C 1.409341 -1.095183 -0.461001
C -1.757221 -0.480408 1.459149
C 1.091167 1.008085 0.770532
C 2.684724 -0.703875 -0.912857
C -1.514985 -3.309844 -0.060744
C -3.039941 -0.393695 0.643139
C 2.351039 1.366602 0.315685
C 3.153849 0.533280 -0.523065
C -4.515264 0.838125 -0.925022
C -2.270882 1.806124 -0.322897
C 2.338272 3.488667 1.481861
H -1.515970 0.486884 1.943358
H -1.942906 -1.192227 2.299098
H 1.006825 -3.060942 -1.236465
H 0.496657 1.641946 1.414315
H 3.276582 -1.359435 -1.546216
H -1.616740 -3.757450 -1.057700
H -1.250538 -4.109796 0.646633
H -2.532661 -2.962460 0.229074
H 4.129785 0.901180 -0.832559
H -5.049422 1.775181 -0.703200
H -5.189945 -0.008226 -0.678981
H -4.295706 0.790473 -2.003288
H -2.150312 2.408308 0.593291
H -2.567615 2.485888 -1.137055
H -1.286528 1.376452 -0.593285
H 3.073264 4.301951 1.540240
H 2.180194 3.033059 2.463732
H 1.401848 3.837822 1.038707


%chk=000244151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244151

0 1
O 3.130656 2.566537 0.682519
O -3.986576 -1.255280 0.901213
N 0.711967 -2.273728 -0.708009
N -3.338112 0.707063 -0.167471
C -0.597559 -0.938393 0.596634
C 0.661875 -0.255778 0.352665
C -0.532609 -2.177904 -0.061084
C 1.463094 -1.115550 -0.474108
C -1.750940 -0.421163 1.437109
C 1.186621 1.000847 0.770439
C 2.758901 -0.749734 -0.899662
C -1.525887 -3.303940 -0.125544
C -3.106999 -0.351166 0.702305
C 2.482634 1.358116 0.343492
C 3.261630 0.495472 -0.486695
C -4.648306 0.813241 -0.833267
C -2.372881 1.776774 -0.464440
C 2.405264 3.491203 1.549201
H -1.485001 0.568946 1.850594
H -1.939410 -1.086968 2.298099
H 1.014676 -3.074705 -1.258150
H 0.601888 1.657231 1.423120
H 3.365897 -1.408757 -1.530195
H -1.818484 -3.532978 -1.169038
H -1.115269 -4.233263 0.315832
H -2.444444 -3.036836 0.420984
H 4.259511 0.831948 -0.782609
H -5.138639 1.771991 -0.575747
H -5.276060 -0.023668 -0.492015
H -4.532059 0.760591 -1.933063
H -2.589336 2.696393 0.117552
H -2.433469 2.032831 -1.538401
H -1.341973 1.453944 -0.264535
H 3.081380 4.347349 1.692133
H 2.175118 3.030885 2.530970
H 1.463500 3.836451 1.076474


