%chk=000206843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206843

0 1
O -2.928746 2.724371 -1.283339
N -0.171666 -0.219825 -0.943645
N -0.731597 2.701542 -0.846361
C -1.899982 -1.556183 0.169648
C -1.410076 -0.348009 -0.210567
C -3.218547 -1.662589 0.884979
C -3.539061 -0.396491 1.697356
C -1.204374 -2.848995 -0.147805
C -2.199116 0.870194 0.035756
C -3.212225 0.844094 0.925704
C 0.767348 0.772743 -0.477637
C 0.421157 -1.447740 -1.408748
C -0.068967 -2.659234 -1.107341
C -2.005022 2.110977 -0.768440
C 0.500017 2.099662 -0.483591
C 2.104882 0.304854 -0.027726
C 2.209356 -0.532898 1.093523
C 3.261039 0.706757 -0.713501
C 3.466945 -0.958594 1.528012
C 4.515483 0.275392 -0.274007
C 4.620183 -0.555172 0.846408
H -4.017619 -1.838585 0.130962
H -3.231641 -2.544859 1.554034
H -2.957246 -0.393822 2.645725
H -4.605827 -0.402705 1.997196
H -1.934925 -3.574468 -0.569166
H -0.823614 -3.313301 0.789569
H -3.835553 1.719632 1.116113
H 1.271846 -1.291802 -2.079261
H 0.334927 -3.564028 -1.552495
H 1.273437 2.821805 -0.189094
H -0.671316 3.596155 -1.342320
H 1.308791 -0.850041 1.619222
H 3.178938 1.348552 -1.589486
H 3.548705 -1.606424 2.399488
H 5.412937 0.586650 -0.806489
H 5.598727 -0.888713 1.187424


%chk=000206843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206843

0 1
O -2.958130 2.869926 -1.050915
N -0.088399 -0.380213 -0.607108
N -0.687645 2.546696 -1.007247
C -2.029723 -1.591203 0.243899
C -1.414358 -0.391922 -0.045145
C -3.440612 -1.606515 0.811288
C -3.714997 -0.356322 1.672843
C -1.416572 -2.944121 -0.082820
C -2.198875 0.867450 0.095245
C -3.311083 0.875526 0.898433
C 0.858077 0.681716 -0.445327
C 0.385295 -1.593822 -1.182826
C -0.225653 -2.793849 -1.005988
C -1.984482 2.127552 -0.701496
C 0.555472 2.005113 -0.628936
C 2.245598 0.302996 -0.035281
C 2.460118 -0.712645 0.937935
C 3.379424 0.952861 -0.596581
C 3.766146 -1.051905 1.349265
C 4.685400 0.616906 -0.180303
C 4.885973 -0.387354 0.795660
H -4.178575 -1.668347 -0.019931
H -3.580640 -2.521568 1.418501
H -3.118468 -0.418886 2.609834
H -4.776698 -0.301912 1.972132
H -2.196024 -3.589928 -0.544877
H -1.129057 -3.479228 0.852913
H -3.920222 1.784846 0.938675
H 1.271834 -1.481694 -1.811791
H 0.158936 -3.668720 -1.539602
H 1.335061 2.748298 -0.440737
H -0.678295 3.467289 -1.458452
H 1.597645 -1.224889 1.377645
H 3.234472 1.705127 -1.380792
H 3.910563 -1.832007 2.105151
H 5.546163 1.126887 -0.627450
H 5.899927 -0.653239 1.114287


