%chk=000198799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198799

0 1
O -3.008031 2.087597 0.101609
O -5.396870 -0.020985 0.866735
O -3.761729 1.381236 -1.908994
N 0.434663 0.869975 0.535935
N 3.217397 0.171633 0.130517
N -3.336586 -1.027841 0.540251
C -0.729756 1.806954 0.609336
C -1.979429 1.045224 0.131059
C 1.480082 1.228780 1.550145
C 1.045475 0.875153 -0.834603
C -2.471039 -0.006009 1.147221
C 2.615527 0.186380 1.500068
C 2.179210 -0.167539 -0.892258
C -2.748982 -2.145833 -0.249406
C -3.961753 -2.864335 -0.887404
C -5.209843 -2.063358 -0.481486
C -4.721007 -0.904442 0.372064
C 4.502866 -0.426438 -0.015695
C 4.961430 -0.839191 -1.288922
C 5.389379 -0.503808 1.084037
C -3.947250 2.044701 -0.914941
C 6.265410 -1.304074 -1.447053
C 6.689595 -0.971826 0.904166
C 7.137366 -1.378177 -0.356451
C -5.104095 2.892306 -0.538341
H -0.886446 2.157647 1.652843
H -0.610284 2.731241 0.001730
H -1.854891 0.625413 -0.891932
H 1.013847 1.208424 2.558691
H 1.899840 2.247464 1.396655
H 1.439916 1.873632 -1.127529
H 0.259878 0.603168 -1.572435
H -3.051293 0.509517 1.953930
H -1.593622 -0.502382 1.624324
H 3.396206 0.464467 2.244845
H 2.224845 -0.816067 1.785314
H 2.638968 -0.148210 -1.907126
H 1.767373 -1.188906 -0.732384
H -2.178726 -2.817111 0.424921
H -2.046505 -1.764495 -1.018624
H -4.029672 -3.908567 -0.537889
H -3.859353 -2.906153 -1.985862
H -5.937179 -2.673450 0.083991
H -5.754960 -1.669667 -1.360941
H 4.305587 -0.780531 -2.155096
H 5.068396 -0.183839 2.073055
H 6.607179 -1.614429 -2.434475
H 7.363581 -1.021971 1.759345
H 8.150702 -1.744602 -0.487537
H -5.653620 3.250084 -1.419267
H -5.803150 2.281692 0.076585
H -4.818546 3.753948 0.082376


%chk=000198799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198799

0 1
O -3.017189 1.990540 -0.042272
O -5.241191 -0.089233 1.585316
O -3.881837 0.975357 -1.962781
N 0.520859 0.885612 0.509659
N 3.295992 0.115360 0.170415
N -3.389078 -1.034285 0.460625
C -0.690982 1.737228 0.568474
C -1.923596 0.977812 0.042126
C 1.546538 1.256447 1.514899
C 1.141478 0.846878 -0.838621
C -2.365073 -0.145147 1.006578
C 2.707445 0.244787 1.516614
C 2.283570 -0.180990 -0.868712
C -3.117426 -1.993378 -0.631601
C -4.400607 -2.871962 -0.653755
C -5.501974 -1.930147 -0.104682
C -4.743598 -0.913268 0.762201
C 4.619286 -0.379807 0.027965
C 5.257070 -0.403912 -1.250888
C 5.377055 -0.830619 1.151753
C -3.983039 1.822282 -1.043294
C 6.584869 -0.851323 -1.391037
C 6.711141 -1.266175 0.999649
C 7.330820 -1.284760 -0.269024
C -5.136286 2.768221 -0.816243
H -0.872949 2.022964 1.621651
H -0.579779 2.683709 -0.011718
H -1.747225 0.579118 -0.974226
H 1.078853 1.263858 2.516562
H 1.961823 2.276670 1.317987
H 1.543062 1.851621 -1.124366
H 0.381639 0.558562 -1.587174
H -2.786072 0.317254 1.918709
H -1.459852 -0.724809 1.271597
H 3.477866 0.614030 2.215036
H 2.335982 -0.736808 1.894285
H 2.749746 -0.167358 -1.865402
H 1.853976 -1.197014 -0.708449
H -2.202361 -2.576433 -0.419474
H -2.985385 -1.452756 -1.590185
H -4.272905 -3.738431 0.018996
H -4.619958 -3.249281 -1.665775
H -6.277652 -2.438744 0.489825
H -6.009269 -1.374380 -0.916201
H 4.728364 -0.042718 -2.138706
H 4.925886 -0.867137 2.147466
H 7.044955 -0.848609 -2.386230
H 7.263028 -1.606645 1.883790
H 8.364163 -1.627912 -0.383200
H -5.734997 2.863972 -1.733801
H -5.766683 2.349637 -0.009061
H -4.778401 3.754523 -0.480205


