%chk=000183401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183401

0 1
O 0.632064 0.364048 -0.097066
O -2.596360 -2.081038 1.350812
N -2.008179 0.069859 0.880949
N -5.354348 1.264594 -0.390862
C 2.107504 -1.407106 0.341543
C 0.758694 -0.938166 0.425225
C 2.870220 -0.329429 -0.268444
C -0.283816 -1.688637 0.956131
C 1.936279 0.720747 -0.515624
C -3.409010 0.549527 0.924218
C -4.005710 0.618955 -0.499570
C 2.412920 -2.679003 0.810846
C -1.716804 -1.277014 1.067764
C 0.064984 -2.976282 1.417071
C 4.201055 -0.136588 -0.624560
C 1.376302 -3.456324 1.348525
C 2.267695 1.935820 -1.093735
C 4.560671 1.085118 -1.211051
C 3.616792 2.097309 -1.440228
C -6.388349 0.271163 0.027605
C -5.741522 1.895273 -1.688352
H -4.015963 -0.136481 1.563371
H -3.435039 1.552277 1.405515
H -3.350252 1.234911 -1.150662
H -4.031401 -0.396133 -0.950485
H 3.431088 -3.061749 0.761131
H -0.732582 -3.604573 1.834411
H -1.302324 0.741279 0.587065
H 4.942431 -0.913901 -0.452033
H 1.596420 -4.457274 1.719723
H 1.529372 2.712741 -1.267062
H 5.598966 1.252872 -1.495942
H 3.936876 3.033749 -1.898802
H -6.574198 -0.537057 -0.694847
H -7.336605 0.801278 0.209420
H -6.085848 -0.190498 0.982182
H -5.015297 2.686382 -1.933785
H -6.721294 2.385537 -1.567979
H -5.806529 1.203212 -2.540318


%chk=000183401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183401

0 1
O 0.722463 0.446550 -0.023278
O -2.637518 -1.968993 1.475547
N -1.984461 0.119271 0.675652
N -5.444470 1.225535 -0.473701
C 2.115552 -1.410869 0.298785
C 0.786246 -0.911349 0.411116
C 2.928373 -0.315969 -0.230808
C -0.303678 -1.664663 0.888340
C 2.049395 0.789070 -0.411491
C -3.334363 0.691958 0.774329
C -4.105946 0.599683 -0.567227
C 2.380983 -2.744159 0.683648
C -1.730408 -1.191349 1.033643
C -0.000272 -2.999278 1.264287
C 4.293150 -0.157784 -0.565345
C 1.309034 -3.529171 1.166300
C 2.447341 2.036742 -0.902908
C 4.725928 1.091155 -1.064606
C 3.817930 2.172560 -1.230985
C -6.410230 0.414349 0.299134
C -5.986894 1.601190 -1.795655
H -3.867777 0.133407 1.561192
H -3.267063 1.752255 1.076574
H -3.529777 1.139101 -1.343456
H -4.155539 -0.474002 -0.877549
H 3.391055 -3.160519 0.610734
H -0.834123 -3.603049 1.637752
H -1.218302 0.694504 0.313198
H 5.002575 -0.982546 -0.441262
H 1.490424 -4.565009 1.470716
H 1.738736 2.860263 -1.025110
H 5.779200 1.232250 -1.328897
H 4.182859 3.129196 -1.619501
H -6.625727 -0.575805 -0.176495
H -7.362194 0.966971 0.392759
H -6.030631 0.224388 1.316754
H -5.280397 2.275138 -2.312427
H -6.940379 2.144022 -1.663183
H -6.182191 0.724353 -2.464475


