%chk=000214699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214699

0 1
O -0.763285 -0.888056 -1.545186
O 0.763004 0.014968 2.918496
O -3.414454 1.214739 1.580536
O -0.098941 2.442640 -1.603373
O -0.142247 2.766625 0.613067
O 6.130688 -0.491303 -0.852012
O 5.030286 -2.159644 -0.018512
N -2.073120 0.240185 -0.056138
N -1.335534 0.535306 2.235776
N 5.116020 -1.016228 -0.430187
C 0.221967 -0.616804 0.637222
C 0.323482 -2.151819 0.870782
C -0.881186 -0.446397 -0.425984
C -3.120906 0.470297 -1.139028
C 1.509202 -0.000279 0.099218
C -0.040895 0.006601 2.017866
C -0.968123 -2.776365 1.416030
C -4.410146 -0.283335 -0.771908
C -2.361844 0.707537 1.261891
C 1.562772 1.327379 -0.376350
C -3.340355 1.972389 -1.315034
C 2.694060 -0.750637 0.082467
C -5.342229 -0.423595 -1.982432
C -0.798851 -4.280631 1.610152
C 3.875297 -0.191468 -0.419609
C 2.748597 1.874566 -0.885626
C 3.920050 1.117064 -0.912257
C -6.608774 -1.195858 -1.622198
C 0.378521 2.237142 -0.338838
H 0.593124 -2.641840 -0.090914
H 1.156503 -2.359231 1.577552
H -2.689161 0.039892 -2.088103
H -1.814993 -2.588413 0.725582
H -1.249062 -2.310782 2.382438
H -4.935591 0.237222 0.057841
H -4.163560 -1.288800 -0.377283
H -1.524129 0.957016 3.163782
H -2.411245 2.502831 -1.570228
H -3.752168 2.436610 -0.403323
H -4.061692 2.164474 -2.120399
H 2.725168 -1.780765 0.466414
H -4.815137 -0.938117 -2.810849
H -5.616298 0.578349 -2.368561
H -0.562477 -4.791285 0.668594
H 0.002838 -4.514363 2.321488
H -1.718851 -4.732950 2.001266
H 2.756681 2.900242 -1.267371
H 4.856224 1.530376 -1.306469
H -6.381878 -2.212265 -1.280175
H -7.171775 -0.700235 -0.822196
H -7.277627 -1.283861 -2.486281
H -0.964449 2.974178 -1.608030


%chk=000214699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214699

0 1
O -0.653188 -0.297758 -1.703345
O 0.808976 0.638230 2.771974
O -3.643239 1.088077 1.627380
O 1.467115 3.852645 -0.467922
O -0.290067 2.492286 0.147437
O 6.011143 -1.214443 -1.310722
O 4.521033 -2.766107 -0.554082
N -2.207705 0.296058 -0.063463
N -1.422055 0.734980 2.159405
N 4.853917 -1.557065 -0.857086
C 0.181329 -0.296619 0.582070
C 0.153445 -1.849411 0.908467
C -0.907160 -0.061307 -0.491581
C -3.300989 0.360896 -1.109926
C 1.564899 0.131110 0.017995
C -0.085014 0.426335 1.911732
C -1.146248 -2.429180 1.513072
C -4.438927 -0.638676 -0.781168
C -2.499914 0.722987 1.247850
C 1.899029 1.488822 -0.314632
C -3.764485 1.817029 -1.330717
C 2.569795 -0.839979 -0.176933
C -5.438940 -0.806352 -1.949548
C -1.001219 -3.950042 1.742301
C 3.837136 -0.483041 -0.671969
C 3.190022 1.819595 -0.807570
C 4.178019 0.841725 -0.994395
C -6.480851 -1.909614 -1.664916
C 0.918311 2.602493 -0.178997
H 0.365391 -2.384593 -0.037033
H 0.981515 -2.050201 1.614894
H -2.790621 0.015161 -2.026893
H -2.005500 -2.244232 0.841421
H -1.379692 -1.938211 2.476059
H -4.975984 -0.312755 0.127405
H -3.986374 -1.627395 -0.559449
H -1.648463 1.132894 3.077185
H -2.893549 2.477505 -1.486998
H -4.343656 2.190022 -0.470885
H -4.396362 1.869927 -2.234259
H 2.403729 -1.892989 0.045047
H -4.886715 -1.049902 -2.880496
H -5.964422 0.150694 -2.133895
H -0.800176 -4.480985 0.793118
H -0.169085 -4.172177 2.436064
H -1.924358 -4.372769 2.177068
H 3.401954 2.864276 -1.043564
H 5.173957 1.080640 -1.373824
H -5.991497 -2.891238 -1.520967
H -7.056177 -1.683641 -0.747592
H -7.199300 -2.009196 -2.498870
H 0.764717 4.548793 -0.360642


