%chk=000180711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180711

0 1
O -3.342697 -2.845472 0.698073
O -1.472000 2.662277 1.378441
O -1.194107 -2.504316 1.238279
O -1.670674 0.159923 -2.642204
N -3.042631 -1.171632 -1.408491
N -1.110617 2.453664 -0.873177
N 0.192323 2.992049 -0.847863
N 2.300170 2.473516 0.119167
C -3.200044 0.176475 0.703891
C -2.380322 -0.822719 -0.135637
C -3.206884 1.577576 0.091724
C 4.549402 -1.330969 1.086789
C 4.689134 -0.455757 -0.169433
C 5.785965 -2.214388 1.297235
C 3.471695 0.399038 -0.361980
C -1.860337 2.252090 0.300814
C -2.177119 -2.109256 0.670817
C 2.379530 -0.045308 -1.122527
C 5.648456 -3.083405 2.545238
C 3.386385 1.673699 0.236022
C 1.250890 2.022951 -0.636709
C 1.254882 0.764415 -1.273556
C -2.604599 -0.629713 -2.621539
C -3.347389 -1.090677 -3.836849
H -4.242051 -0.186523 0.821417
H -2.782501 0.227904 1.736502
H -1.354738 -0.390102 -0.356724
H -3.506302 1.546976 -0.974109
H -3.977656 2.202376 0.597571
H 3.641600 -1.960375 1.006189
H 4.385520 -0.689297 1.974533
H 5.597328 0.176521 -0.091214
H 4.857516 -1.095544 -1.059650
H 5.946239 -2.857826 0.410094
H 6.691940 -1.582501 1.380601
H -3.864350 -1.771345 -1.341023
H 2.408699 -1.025587 -1.598836
H 4.778555 -3.747357 2.481368
H 5.527593 -2.475236 3.449315
H 6.533083 -3.713411 2.689429
H 4.207578 2.073455 0.843249
H -1.327220 1.963548 -1.759490
H 0.413207 0.440379 -1.889227
H 0.247373 3.775154 -0.157901
H -2.914436 -0.626788 -4.741644
H -3.285984 -2.179253 -3.980998
H -4.410750 -0.815128 -3.816320
H -3.251951 -3.691502 1.215644


%chk=000180711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180711

0 1
O -6.100182 -1.632021 0.056560
O -2.130899 3.310602 0.658307
O -5.364706 -0.552191 1.982667
O -1.625668 -0.935708 -1.487888
N -3.942518 -1.103079 -1.325491
N -1.066572 1.392503 -0.109529
N -0.051001 1.552119 0.845800
N 2.164543 1.635226 1.528523
C -4.409841 1.228603 -0.426514
C -4.091703 -0.271696 -0.115152
C -3.232675 1.977381 -1.105314
C 5.724975 -1.374060 0.668797
C 5.438744 0.093276 0.243874
C 7.220087 -1.747362 0.554234
C 3.970761 0.472141 0.328931
C -2.102953 2.302048 -0.123895
C -5.203936 -0.819033 0.778708
C 3.017782 0.023724 -0.625929
C 7.508620 -3.205304 0.973026
C 3.468776 1.277828 1.381581
C 1.270553 1.183844 0.594341
C 1.658977 0.367968 -0.510195
C -2.733770 -1.419509 -1.900003
C -2.776446 -2.391960 -3.068660
H -5.303211 1.267403 -1.078879
H -4.661889 1.738426 0.521830
H -3.149840 -0.321185 0.461710
H -2.860187 1.404741 -1.973222
H -3.607141 2.947366 -1.476093
H 5.122102 -2.061612 0.040805
H 5.380595 -1.524501 1.711612
H 6.034992 0.771720 0.886185
H 5.808818 0.236699 -0.792241
H 7.556517 -1.585879 -0.490693
H 7.817496 -1.055364 1.182606
H -4.795513 -1.553714 -1.666396
H 3.344604 -0.595273 -1.470839
H 6.946375 -3.918037 0.340381
H 7.208555 -3.381827 2.023073
H 8.583508 -3.448284 0.883069
H 4.150293 1.667482 2.149279
H -1.152292 0.475869 -0.598763
H 0.929101 0.020499 -1.246503
H -0.233540 2.306128 1.518326
H -2.320576 -1.916323 -3.953622
H -2.161424 -3.274193 -2.821055
H -3.795430 -2.726211 -3.325300
H -6.835155 -1.936674 0.653252


