%chk=000218186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218186

0 1
O -3.183455 1.018691 0.542418
O -3.126734 -1.412739 0.037668
O 4.236722 2.170435 0.439272
N 1.802834 1.060314 0.322131
N 1.851767 -1.206713 -0.148576
N 4.008370 -0.059642 -0.010591
C 0.467867 0.615372 0.291544
C 0.516157 -0.788641 -0.000790
C -1.903872 0.556999 0.388380
C -1.868190 -0.869238 0.092038
C -0.746677 1.305172 0.489813
C -0.678366 -1.539295 -0.101022
C 2.591947 -0.083087 0.049611
C -3.357335 2.442880 0.845856
C -3.225396 -2.846115 -0.255548
C -4.863613 2.581444 0.944938
C -4.721806 -3.088832 -0.238306
C 4.777319 1.106182 0.194742
C 6.255615 0.900570 0.084194
H -0.744827 2.365159 0.708660
H -0.615104 -2.600004 -0.323027
H 2.146959 1.997588 0.499989
H 4.443266 -0.964973 -0.217613
H -2.842325 2.663491 1.796206
H -2.925302 3.031797 0.019056
H -2.770844 -3.033427 -1.243316
H -2.690547 -3.402155 0.533221
H -5.158129 3.610958 1.174004
H -5.351719 2.283576 0.005720
H -5.271508 1.923764 1.726122
H -4.960120 -4.137496 -0.444851
H -5.155184 -2.821784 0.736126
H -5.232910 -2.465020 -0.985478
H 6.640055 0.183048 0.823659
H 6.782465 1.855097 0.262265
H 6.560520 0.551024 -0.913016


%chk=000218186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218186

0 1
O -3.246795 1.085930 0.559115
O -3.179544 -1.483172 0.026607
O 4.217823 2.232315 0.449534
N 1.782830 1.046486 0.324221
N 1.842237 -1.201940 -0.140069
N 3.956845 -0.037635 -0.001191
C 0.444073 0.621828 0.298546
C 0.500107 -0.778210 0.008813
C -1.961982 0.552384 0.392151
C -1.922946 -0.863854 0.099264
C -0.773315 1.306398 0.494103
C -0.695969 -1.528079 -0.091423
C 2.555305 -0.079038 0.057086
C -3.348844 2.524014 0.863166
C -3.199510 -2.926012 -0.272012
C -4.836254 2.839900 0.995026
C -4.666175 -3.347437 -0.300390
C 4.739085 1.098421 0.193232
C 6.239441 0.879237 0.074251
H -0.796401 2.375853 0.715312
H -0.644465 -2.595937 -0.313321
H 2.205467 1.965613 0.492245
H 4.393406 -0.939090 -0.207664
H -2.805447 2.742926 1.806592
H -2.883173 3.110221 0.042990
H -2.707681 -3.108634 -1.250517
H -2.636554 -3.474543 0.512091
H -4.979072 3.911448 1.225691
H -5.366645 2.607769 0.056062
H -5.288899 2.241929 1.803988
H -4.747943 -4.427297 -0.522023
H -5.145338 -3.150695 0.673694
H -5.215913 -2.786290 -1.074990
H 6.597678 0.141226 0.815293
H 6.749988 1.836206 0.252221
H 6.512478 0.512160 -0.932197


