%chk=000213580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213580

0 1
O -2.229115 3.292151 0.353741
O 2.378067 1.116576 -0.829450
O 0.598181 2.888551 -0.049000
N 2.306005 -0.829061 0.318099
C 0.207129 0.486266 -0.150718
C 3.778824 -0.980021 0.118087
C 1.662537 -1.799715 1.240283
C 1.678039 0.267789 -0.250692
C -2.097975 -0.295944 -0.129564
C -0.733392 -0.552646 -0.252637
C -0.240192 1.813727 -0.024225
C -1.634333 2.072470 0.140213
C -2.548171 1.018383 0.091468
C -3.089262 -1.422716 -0.246071
C 4.573508 -0.352065 1.260430
C 1.302179 -3.104158 0.531566
C -2.895128 -2.449632 0.833134
C -1.388552 4.475810 0.342674
C -2.936486 -3.762447 0.617020
H 4.012875 -2.061722 0.018842
H 4.055913 -0.488853 -0.848258
H 2.363493 -2.004498 2.083220
H 0.755820 -1.340812 1.698633
H -0.391900 -1.575006 -0.446248
H -3.609119 1.238120 0.211562
H -4.134039 -1.042373 -0.188585
H -3.010628 -1.876886 -1.258442
H 4.364053 0.724360 1.340647
H 4.342116 -0.803697 2.230466
H 5.651280 -0.459599 1.091057
H 0.542863 -2.937141 -0.250921
H 2.169552 -3.565562 0.046010
H 0.888412 -3.833886 1.237256
H -2.726958 -2.033127 1.828772
H 1.522903 2.629784 -0.436961
H -0.905691 4.585132 -0.633876
H -0.641387 4.414163 1.141101
H -2.121046 5.268845 0.528063
H -2.816247 -4.494337 1.402256
H -3.100027 -4.211020 -0.351554


%chk=000213580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213580

0 1
O -2.143839 3.475601 -0.224591
O 2.434671 1.163133 -0.700792
O 0.669501 2.890135 -0.480685
N 2.263003 -0.904165 0.300070
C 0.191052 0.492096 -0.138329
C 3.734796 -1.030727 0.096321
C 1.666344 -1.871439 1.255602
C 1.661805 0.240862 -0.186954
C -2.173380 -0.226446 -0.068977
C -0.798041 -0.530235 -0.098399
C -0.228554 1.868848 -0.242328
C -1.621678 2.178351 -0.133915
C -2.564089 1.135517 -0.051313
C -3.226542 -1.337379 -0.088826
C 4.558087 -0.300744 1.179133
C 1.448077 -3.282349 0.668822
C -2.902736 -2.507289 0.821296
C -1.460397 4.569431 0.499253
C -2.794927 -3.800116 0.422294
H 3.973926 -2.109791 0.085459
H 3.974637 -0.609399 -0.892971
H 2.357656 -1.943285 2.119408
H 0.721008 -1.459061 1.640254
H -0.501754 -1.581124 -0.134451
H -3.621686 1.418595 -0.005370
H -4.200689 -0.902920 0.213463
H -3.360253 -1.712186 -1.123570
H 4.356843 0.782060 1.139566
H 4.322887 -0.671295 2.193937
H 5.637442 -0.460914 1.003306
H 0.740787 -3.268516 -0.177892
H 2.396214 -3.722945 0.312167
H 1.035990 -3.950631 1.446608
H -2.754261 -2.254945 1.882857
H 1.578577 2.412766 -0.693728
H -0.430598 4.700201 0.133748
H -1.451974 4.360416 1.586839
H -2.072398 5.461166 0.294968
H -2.577516 -4.606179 1.132340
H -2.933888 -4.089891 -0.627222


