%chk=000212431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212431

0 1
O 3.899436 -0.755009 -0.071138
O 4.154297 1.472750 0.348640
N -0.327798 0.687511 -0.504211
N 2.509890 0.724560 -1.142501
N -3.900287 -0.126117 0.365787
C 0.526772 1.842465 -0.072076
C 0.467802 -0.584381 -0.496612
C 1.721128 1.987025 -1.036856
C 1.654037 -0.448867 -1.472875
C -1.544118 0.568137 0.363478
C -2.667273 -0.076670 -0.477490
C -5.102725 -0.508876 -0.437911
C 3.549487 0.571933 -0.202121
C -6.318664 -0.737778 0.493954
C -7.452876 -1.403156 -0.296154
C -6.788698 0.580067 1.116613
C 5.135283 -1.046877 0.696740
C 4.798243 -0.969990 2.175373
C 5.493949 -2.440434 0.209027
H -0.092256 2.765495 -0.121210
H 0.891457 1.750478 0.973624
H 0.838552 -0.862978 0.513577
H -0.195276 -1.408682 -0.837321
H 2.388020 2.816744 -0.707752
H 1.361799 2.230689 -2.063330
H 1.281146 -0.296680 -2.512441
H 2.270096 -1.376080 -1.468846
H -1.366854 -0.007740 1.295204
H -1.881357 1.579555 0.685608
H -2.351483 -1.069538 -0.860583
H -2.859803 0.557647 -1.372276
H -3.768576 -0.798551 1.129295
H -5.319190 0.326787 -1.139517
H -4.933513 -1.411486 -1.063362
H -6.013818 -1.428946 1.319280
H -7.156081 -2.380262 -0.689973
H -8.333087 -1.559279 0.337863
H -7.773038 -0.786607 -1.143349
H -5.952207 1.098382 1.605698
H -7.568433 0.416055 1.865804
H -7.189311 1.266263 0.363095
H 5.891295 -0.284004 0.404385
H 5.640225 -1.290809 2.798167
H 4.548934 0.063632 2.462075
H 3.935153 -1.595859 2.429885
H 6.409699 -2.804804 0.687649
H 5.649927 -2.451118 -0.877957
H 4.693298 -3.160895 0.420942


%chk=000212431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212431

0 1
O 4.187891 -0.840272 -0.097541
O 4.393362 1.483854 0.240133
N -0.497573 0.619985 -0.145585
N 2.357031 0.521361 -0.418695
N -4.198866 -0.114314 0.319816
C 0.346074 1.747368 0.329695
C 0.231043 -0.665251 0.008400
C 1.653748 1.817491 -0.480746
C 1.542852 -0.647984 -0.801424
C -1.841335 0.609628 0.480824
C -2.888736 -0.144552 -0.363113
C -5.317133 -0.716611 -0.438906
C 3.690356 0.479270 -0.067901
C -6.671974 -0.528097 0.288011
C -7.777247 -1.351139 -0.413044
C -7.053536 0.966579 0.381216
C 5.624820 -1.000082 0.312806
C 5.715889 -1.017968 1.845639
C 6.088111 -2.299212 -0.351449
H -0.213343 2.690724 0.192449
H 0.597102 1.648712 1.416860
H 0.469042 -0.868180 1.085106
H -0.403708 -1.490488 -0.359944
H 2.327908 2.594210 -0.085765
H 1.412089 2.052915 -1.536921
H 1.295279 -0.583153 -1.880630
H 2.124579 -1.563531 -0.623033
H -1.811551 0.173380 1.514938
H -2.187845 1.653448 0.587086
H -2.536232 -1.184272 -0.581630
H -2.987342 0.367419 -1.338277
H -4.137966 -0.516380 1.267360
H -5.365916 -0.215556 -1.427360
H -5.161199 -1.807855 -0.641071
H -6.555165 -0.921442 1.322532
H -7.537495 -2.431321 -0.422113
H -8.749816 -1.221201 0.096193
H -7.902203 -1.021724 -1.462895
H -6.218290 1.549865 0.805895
H -7.950908 1.112932 1.010841
H -7.275686 1.371456 -0.625550
H 6.173824 -0.126241 -0.084381
H 6.765723 -1.163622 2.161069
H 5.360317 -0.061343 2.263373
H 5.110187 -1.843649 2.260614
H 7.154408 -2.478845 -0.122945
H 5.969256 -2.243373 -1.447030
H 5.503378 -3.159236 0.020995


