%chk=000188218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188218

0 1
O -0.663170 2.140206 1.682329
O -1.013196 0.125614 2.599245
O 2.881336 0.490754 -2.667421
O -7.629459 -0.740414 0.992872
O -7.612791 -0.554248 -1.161786
N 0.826551 0.284172 -0.072484
N 2.863311 1.482863 -0.608659
N -7.055941 -0.681565 -0.082774
C -0.644035 0.340962 0.139499
C -1.299613 -1.036335 -0.072761
C -2.800099 -0.938317 -0.076639
C 1.388601 1.572765 -0.603331
C -0.794826 0.771204 1.605945
C -3.492991 -0.789283 -1.289861
C -3.509266 -0.997939 1.134713
C 5.016508 0.725994 -1.572808
C -4.884245 -0.705623 -1.296855
C -4.899680 -0.915499 1.139599
C 3.508345 0.843336 -1.683168
C -5.581032 -0.769543 -0.079819
C 5.467608 0.090687 -0.289704
C 6.094261 0.861334 0.700286
C 5.260168 -1.281535 -0.080295
C 6.511281 0.259926 1.891466
C 5.677462 -1.875135 1.113268
C 6.303009 -1.106571 2.100939
H -1.156916 1.107593 -0.505811
H -0.958987 -1.740364 0.724446
H -0.937866 -1.485438 -1.022958
H 1.094579 -0.506753 -0.670979
H 1.079475 2.402419 0.084775
H 1.033619 1.807773 -1.639035
H -2.946704 -0.741633 -2.232186
H -2.964109 -1.103362 2.080365
H 3.312067 1.509170 0.308214
H 5.384146 0.133220 -2.444618
H 5.469247 1.732448 -1.713994
H -5.438226 -0.591479 -2.235500
H -5.464659 -0.962646 2.077700
H 6.264619 1.924668 0.543768
H 4.775607 -1.883722 -0.847666
H -0.724614 2.484168 2.613823
H 7.000858 0.859474 2.658107
H 5.514919 -2.940389 1.274735
H 6.627247 -1.572158 3.030020


%chk=000188218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188218

0 1
O -0.357675 0.682352 2.288314
O -1.027521 -1.521597 1.986853
O 2.780261 0.079402 -2.582472
O -7.903081 -0.887479 1.085012
O -7.942812 0.747454 -0.505221
N 0.655344 -0.120187 -0.429563
N 2.912624 0.784186 -0.380928
N -7.330779 -0.157001 0.186115
C -0.753208 -0.014413 0.008310
C -1.655831 -0.967774 -0.818983
C -3.139947 -0.770221 -0.553478
C 1.479595 1.100232 -0.342356
C -0.764442 -0.403646 1.496335
C -3.869583 0.208754 -1.281500
C -3.820478 -1.543610 0.424999
C 4.981999 -0.050020 -1.500024
C -5.241141 0.419821 -1.046948
C -5.193028 -1.349987 0.673636
C 3.472539 0.269621 -1.531513
C -5.885410 -0.367030 -0.066926
C 5.674601 0.077296 -0.153862
C 6.419874 1.238807 0.178329
C 5.576652 -0.963326 0.809034
C 7.052142 1.359275 1.437189
C 6.207331 -0.846613 2.068065
C 6.947526 0.316365 2.386645
H -1.141857 1.023986 -0.082313
H -1.354377 -2.006514 -0.593520
H -1.441165 -0.772473 -1.886889
H 0.781972 -0.600202 -1.329706
H 1.259934 1.609374 0.609761
H 1.269651 1.800089 -1.181285
H -3.358756 0.803040 -2.048309
H -3.261526 -2.292227 0.995267
H 3.464330 0.800323 0.479277
H 5.076564 -1.075147 -1.902496
H 5.448431 0.615982 -2.249901
H -5.817059 1.165249 -1.601483
H -5.731607 -1.939143 1.420527
H 6.510417 2.048792 -0.555995
H 5.010484 -1.871111 0.565943
H -0.304862 0.395360 3.240859
H 7.628691 2.260586 1.673666
H 6.126555 -1.661774 2.795843
H 7.441025 0.405952 3.360695


