%chk=000190377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190377

0 1
O 2.104332 0.200073 -0.542998
O 3.097656 -0.733434 -2.994122
O -4.020248 0.806093 1.543148
O -2.433493 -0.343723 0.350142
N 4.451741 -2.495791 -0.053248
N -1.953107 1.651112 1.523238
C 3.438514 -2.223882 -1.109722
C 3.814065 -0.874700 -1.764638
C 3.858457 -3.019365 1.226065
C 3.530906 0.323377 -0.843462
C -6.746531 -0.652310 -0.655672
C 4.954179 -3.744705 2.019794
C 3.289240 -1.838987 2.023186
C -5.499463 0.157771 -0.285830
C -7.197766 -0.353057 -2.092487
C -5.047880 -0.155722 1.135605
C 1.521500 1.153305 0.252025
C -8.441807 -1.153564 -2.469564
C 0.150593 0.911119 0.462064
C -0.559385 1.812559 1.257015
C 2.181923 2.254737 0.813481
C 0.078492 2.935689 1.836746
C 1.437006 3.136062 1.604366
C -2.743771 0.594967 1.046945
H 3.400267 -3.006775 -1.895928
H 2.409561 -2.152312 -0.689459
H 4.880105 -0.860267 -2.094285
H 3.027069 -3.746180 1.020510
H 5.162156 -3.140113 -0.412122
H 3.701570 1.285327 -1.353374
H 4.102721 0.250543 0.099741
H -7.570908 -0.427835 0.048648
H -6.540432 -1.735633 -0.548818
H -5.696972 1.243675 -0.386181
H -4.672442 -0.061697 -0.994861
H 4.584982 -4.048396 3.005782
H 5.305848 -4.646626 1.509708
H 5.823404 -3.095733 2.187323
H 2.811430 -2.175448 2.947555
H 2.538979 -1.285943 1.439905
H 4.074816 -1.122751 2.290215
H -7.400456 0.729972 -2.206823
H -6.376405 -0.582848 -2.800160
H -5.821466 0.044983 1.899390
H -4.642542 -1.176948 1.242782
H 2.138972 -0.592315 -2.819369
H -8.263004 -2.233153 -2.406232
H -9.287932 -0.921894 -1.812830
H -8.755648 -0.934823 -3.496798
H -0.323234 0.037221 0.005175
H 3.237412 2.432693 0.649259
H -0.475407 3.635017 2.453950
H -2.411493 2.356125 2.110573
H 1.933792 4.000508 2.049246


%chk=000190377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190377

0 1
O 2.095517 0.111710 -0.567608
O 3.085913 -0.988127 -2.907662
O -4.213654 1.013547 1.376791
O -2.633569 -0.285601 0.196884
N 4.824318 -2.351711 0.160314
N -2.073319 1.718024 1.340529
C 3.813366 -2.293248 -0.919146
C 3.915474 -0.956693 -1.695259
C 4.521354 -3.254171 1.308672
C 3.547702 0.246439 -0.818077
C -7.085161 -0.484560 -0.740348
C 5.829802 -3.532117 2.076524
C 3.465456 -2.612955 2.236069
C -5.902090 0.442723 -0.375498
C -7.739593 -0.114581 -2.091644
C -5.284863 0.059742 0.975902
C 1.454462 1.096840 0.199157
C -8.926408 -1.033364 -2.452874
C 0.063176 0.903093 0.366329
C -0.674375 1.840187 1.123852
C 2.122151 2.205603 0.774441
C -0.021862 2.962850 1.708286
C 1.362548 3.130275 1.527311
C -2.922833 0.718834 0.894098
H 3.898434 -3.120628 -1.659183
H 2.806983 -2.359408 -0.468800
H 4.949838 -0.821419 -2.062719
H 4.118011 -4.233487 0.947790
H 5.762096 -2.544469 -0.218369
H 3.740251 1.197562 -1.351213
H 4.109671 0.200701 0.133968
H -7.853867 -0.441419 0.059717
H -6.734320 -1.536598 -0.782829
H -6.249754 1.493437 -0.332436
H -5.124482 0.381972 -1.160229
H 5.638101 -4.171631 2.956103
H 6.571865 -4.048538 1.437011
H 6.273599 -2.581678 2.426774
H 3.191813 -3.308098 3.051499
H 2.541555 -2.353904 1.688708
H 3.868036 -1.683946 2.679185
H -8.083236 0.939195 -2.053299
H -6.973577 -0.163661 -2.891587
H -6.020885 0.133229 1.794240
H -4.856354 -0.958462 0.941238
H 2.146576 -0.846961 -2.616501
H -8.603074 -2.088837 -2.526440
H -9.719397 -0.978247 -1.683253
H -9.375749 -0.749748 -3.422150
H -0.426979 0.038929 -0.085455
H 3.197677 2.352824 0.649722
H -0.595102 3.689711 2.295781
H -2.524991 2.443396 1.901504
H 1.863644 3.993443 1.978778


