%chk=000212966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212966

0 1
O -3.111581 0.662875 -0.780206
O 4.604420 -0.452411 0.269498
N -6.499769 -0.012517 0.399144
C -7.785247 -0.331918 -0.307742
C -6.850384 1.074490 1.374731
C -8.689722 0.919101 -0.254113
C -8.090720 1.823565 0.838505
C -5.419643 0.402218 -0.548710
C -4.083758 0.027279 0.109246
C 2.435078 0.299396 -0.023573
C -1.776033 0.504538 -0.501907
C 0.987440 0.360387 -0.189449
C 3.312461 1.458186 0.054467
C 3.235362 -0.812702 0.103503
C 4.626678 0.944330 0.233969
C -0.941579 1.165530 -1.429485
C -1.250070 -0.223486 0.572881
C 0.434420 1.089103 -1.263303
C 0.138288 -0.287841 0.719647
C 3.017991 -2.251810 0.106497
C 3.133866 2.845456 0.005653
C 5.764812 1.741481 0.357110
C 4.258348 3.659181 0.127078
C 5.550944 3.117001 0.298244
C 1.910852 -2.800990 -0.563419
C 3.920481 -3.098761 0.775419
C 1.706960 -4.182602 -0.552298
C 3.709222 -4.478495 0.779721
C 2.602418 -5.022024 0.118444
H -8.246709 -1.175255 0.250638
H -7.618283 -0.684645 -1.340796
H -6.001696 1.755773 1.563028
H -7.081746 0.569818 2.337335
H -9.732162 0.645505 -0.025332
H -8.710031 1.436363 -1.227464
H -7.812987 2.808229 0.427775
H -8.816084 2.016633 1.645068
H -5.425846 1.483945 -0.805305
H -5.518796 -0.138550 -1.514799
H -3.909135 -1.060713 0.119955
H -3.967234 0.448289 1.120997
H 1.098082 1.589957 -1.969778
H 0.565482 -0.848491 1.552787
H -1.389750 1.718225 -2.251597
H -1.890973 -0.730425 1.286283
H 2.138416 3.267126 -0.119636
H 6.750583 1.307948 0.489834
H 4.144831 4.741476 0.091493
H 6.399674 3.794965 0.387426
H 1.214346 -2.148687 -1.093115
H 4.784496 -2.668814 1.284742
H 0.847780 -4.606041 -1.070660
H 4.408507 -5.132255 1.298736
H 2.439501 -6.098433 0.124331


%chk=000212966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212966

0 1
O -3.164209 0.813382 -0.949200
O 4.624252 -0.448783 0.416969
N -6.559625 -0.070108 0.317756
C -7.880949 -0.316199 -0.326737
C -6.898376 0.789572 1.493571
C -8.656519 1.036304 -0.245682
C -8.128930 1.682490 1.075731
C -5.533170 0.522379 -0.580122
C -4.138159 0.139722 -0.070137
C 2.479253 0.294907 -0.083874
C -1.802025 0.624444 -0.679643
C 1.016161 0.377547 -0.298955
C 3.373794 1.449656 -0.015422
C 3.265352 -0.834354 0.168655
C 4.669800 0.950126 0.294884
C -0.903976 1.289881 -1.551408
C -1.295105 -0.165451 0.384008
C 0.483032 1.167861 -1.358020
C 0.099536 -0.276295 0.564898
C 3.036641 -2.282680 0.196682
C 3.200878 2.851469 -0.149436
C 5.805346 1.754390 0.459972
C 4.327654 3.685039 0.011096
C 5.613297 3.146789 0.306661
C 1.925962 -2.876688 -0.468666
C 3.959409 -3.131017 0.874722
C 1.737657 -4.273076 -0.437740
C 3.765692 -4.527045 0.900666
C 2.651895 -5.106967 0.249234
H -8.415543 -1.090577 0.257673
H -7.751615 -0.696574 -1.353914
H -6.022789 1.388124 1.799901
H -7.174958 0.138977 2.344123
H -9.751043 0.891713 -0.239334
H -8.406503 1.669936 -1.116207
H -7.833524 2.734142 0.916833
H -8.899792 1.672985 1.866470
H -5.595530 1.632100 -0.664420
H -5.663477 0.109449 -1.596312
H -4.005785 -0.958643 -0.113327
H -3.994585 0.475687 0.977360
H 1.167571 1.669591 -2.050992
H 0.483477 -0.874920 1.398176
H -1.313315 1.889930 -2.369857
H -1.967304 -0.685106 1.072888
H 2.215123 3.277494 -0.361463
H 6.782838 1.325037 0.696550
H 4.215032 4.770063 -0.089907
H 6.467317 3.822725 0.422684
H 1.221561 -2.247457 -1.019979
H 4.824055 -2.683534 1.373651
H 0.879986 -4.712483 -0.959199
H 4.484194 -5.163399 1.429336
H 2.501841 -6.192050 0.270306


