%chk=000211258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211258

0 1
O -1.235498 -1.210952 0.029889
O -3.473541 -0.427626 -0.008101
O 1.132853 0.684521 -0.329569
O 1.218806 0.131612 1.909658
O 3.053202 0.463897 -1.667811
N 3.053187 -0.244203 0.511309
C -2.649477 -1.656239 0.140404
C -1.257863 0.159989 -0.118006
C -2.605310 0.635493 -0.150378
C -2.868990 -2.200023 1.528337
C -2.942716 -2.563509 -1.026099
C -0.213982 1.062414 -0.231760
C -2.922070 1.968474 -0.305519
C -0.514568 2.435292 -0.388529
C -1.835764 2.865501 -0.428913
C 1.731228 0.181628 0.817632
C 3.797719 -0.860443 1.642742
C 3.657383 -0.099819 -0.787330
C 5.032623 -0.674649 -0.938204
H -3.937592 -2.218173 1.784240
H -2.469138 -3.215496 1.640014
H -2.366378 -1.572303 2.282937
H -2.899514 -2.012707 -1.978852
H -2.204956 -3.375425 -1.093325
H -3.942971 -3.009289 -0.953469
H -3.950791 2.314534 -0.330445
H 0.313339 3.137094 -0.487892
H -2.050516 3.927243 -0.555471
H 4.719937 -0.296605 1.855771
H 4.047107 -1.910178 1.419085
H 3.181861 -0.852637 2.566122
H 5.061816 -1.754955 -0.738676
H 5.384146 -0.528645 -1.974687
H 5.766432 -0.189716 -0.279604


%chk=000211258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211258

0 1
O -1.211306 -1.188964 -0.170937
O -3.499021 -0.449504 -0.121442
O 1.125584 0.729702 -0.439235
O 1.045607 -0.166374 1.726393
O 3.607087 1.310263 -1.202737
N 3.020522 -0.294948 0.444155
C -2.619930 -1.650642 0.156015
C -1.284611 0.212195 -0.243961
C -2.625786 0.656178 -0.234622
C -2.687177 -1.980440 1.645551
C -2.998739 -2.766643 -0.804074
C -0.240261 1.134947 -0.360741
C -2.971280 2.003502 -0.369858
C -0.553288 2.508151 -0.504223
C -1.900954 2.930718 -0.510405
C 1.673419 0.087725 0.675369
C 3.578703 -1.264767 1.423339
C 3.873344 0.258707 -0.575279
C 5.158439 -0.526060 -0.829539
H -3.720593 -2.245673 1.927031
H -2.020408 -2.829253 1.873395
H -2.362280 -1.112017 2.242243
H -2.919710 -2.414733 -1.844837
H -2.324356 -3.628217 -0.663524
H -4.035639 -3.090831 -0.612543
H -4.015939 2.323996 -0.369683
H 0.270026 3.219822 -0.609835
H -2.127119 3.995723 -0.620230
H 4.446796 -0.836496 1.952799
H 3.879812 -2.199830 0.921333
H 2.794601 -1.486417 2.161161
H 4.948300 -1.581708 -1.078720
H 5.675638 -0.048819 -1.674391
H 5.830525 -0.515194 0.047531


