%chk=000230447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230447

0 1
O -0.081321 2.613564 -0.828782
N -1.123004 0.800337 0.251355
N 2.432208 1.322464 -0.279936
C -0.630021 -0.475994 0.899771
C 0.876417 -0.372617 0.754548
C -1.152510 -1.728104 0.226041
C 1.223458 0.759058 0.103874
C -0.038555 1.551601 -0.247424
C -2.507394 1.162214 0.198640
C -1.224183 -1.828370 -1.169689
C -1.541010 -2.814212 1.024949
C -2.905479 2.324325 -0.491682
C -3.469683 0.362607 0.846292
C 3.729756 0.776058 -0.102227
C -1.689562 -3.005989 -1.762106
C -2.000964 -3.990523 0.427385
C -2.077858 -4.087778 -0.965965
C -4.254853 2.674523 -0.526521
C -4.815129 0.732434 0.796553
C -5.215022 1.884963 0.114692
C 4.815633 1.587970 -0.514015
C 3.972309 -0.497809 0.439896
C 6.116906 1.115174 -0.374243
C 5.288612 -0.949387 0.569979
C 6.362414 -0.153201 0.168265
H -0.918962 -0.451491 1.984815
H 1.514185 -1.153446 1.133997
H 2.367005 2.240466 -0.738196
H -0.920687 -0.988016 -1.794202
H -1.483733 -2.748906 2.110020
H -2.166862 2.955015 -0.996617
H -3.188766 -0.543976 1.376050
H -1.748576 -3.078873 -2.847371
H -2.301105 -4.832778 1.048870
H -2.439434 -5.004050 -1.429384
H -4.559786 3.574641 -1.060860
H -5.558670 0.111556 1.296056
H -6.264637 2.165585 0.081950
H 4.640604 2.574697 -0.935821
H 3.152027 -1.141671 0.755119
H 6.953215 1.739444 -0.690213
H 5.473217 -1.938312 0.990588
H 7.382398 -0.512791 0.273848


%chk=000230447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230447

0 1
O 0.075000 2.556864 -0.812260
N -1.105167 0.727018 0.221169
N 2.424403 1.209671 -0.238553
C -0.692427 -0.550540 0.871513
C 0.829271 -0.516542 0.788112
C -1.262609 -1.813076 0.209107
C 1.232809 0.623577 0.142150
C 0.019378 1.434843 -0.220267
C -2.463919 1.171631 0.177213
C -1.352451 -1.926656 -1.199168
C -1.643317 -2.909764 1.018992
C -2.820521 2.367442 -0.507332
C -3.477254 0.419155 0.831621
C 3.756019 0.780363 -0.084188
C -1.820183 -3.121009 -1.787471
C -2.103324 -4.110204 0.430989
C -2.194253 -4.218182 -0.975213
C -4.165962 2.789186 -0.526411
C -4.817766 0.854561 0.800654
C -5.174726 2.042100 0.123276
C 4.788129 1.663256 -0.516186
C 4.116519 -0.479134 0.469211
C 6.141073 1.296826 -0.393903
C 5.478251 -0.833254 0.586314
C 6.499976 0.044206 0.160968
H -1.017247 -0.531624 1.933416
H 1.411050 -1.345502 1.181518
H 2.272762 2.120281 -0.695222
H -1.063380 -1.079289 -1.831345
H -1.580907 -2.826943 2.112162
H -2.045600 2.954084 -1.003850
H -3.234684 -0.510013 1.352851
H -1.893904 -3.197900 -2.877975
H -2.395176 -4.953468 1.066857
H -2.556169 -5.144837 -1.434211
H -4.423510 3.712980 -1.056546
H -5.584464 0.259052 1.308647
H -6.217163 2.377154 0.101724
H 4.520172 2.637315 -0.944512
H 3.353552 -1.186429 0.795567
H 6.918666 1.991177 -0.731212
H 5.738653 -1.808487 1.013323
H 7.552996 -0.239491 0.256771


