%chk=000212914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212914

0 1
O -0.190421 1.331342 0.552592
O 1.395441 -1.613298 0.634997
O -1.240436 -0.041826 2.061224
O -0.623246 -2.161594 -0.309250
N -2.425424 1.089423 0.374716
N 0.047367 -3.052770 1.746225
C 2.117815 0.657204 0.212120
C 2.274573 1.698416 -0.921783
C 1.078503 1.135357 1.251367
C 1.644542 -0.661964 -0.448359
C 3.438543 0.401965 0.951530
C 2.907282 3.021655 -0.471394
C 2.934768 4.041151 -1.608426
C -3.630761 -0.891748 -0.640085
C -3.635913 0.227705 0.428740
C -1.297425 0.679554 1.082680
C 0.163893 -2.248815 0.612972
C -3.767009 -0.314581 -2.052087
C -4.767392 -1.874684 -0.341882
H 2.877351 1.268819 -1.744402
H 1.270058 1.904319 -1.349787
H 1.316197 2.133315 1.656876
H 0.950938 0.403536 2.072525
H 2.430223 -1.139134 -1.056493
H 0.725024 -0.523025 -1.049017
H 3.356565 -0.477464 1.606018
H 3.740139 1.252057 1.571554
H 4.256916 0.205105 0.249683
H 2.342078 3.437993 0.386578
H 3.937791 2.846821 -0.105452
H 1.924989 4.277742 -1.963754
H 3.507323 3.675426 -2.468174
H 3.394956 4.981591 -1.284486
H -2.653390 -1.446859 -0.574139
H -3.713435 -0.216593 1.449220
H -4.516734 0.895355 0.301350
H -2.270084 1.575331 -0.511527
H -4.683280 0.272682 -2.170279
H -3.797840 -1.118581 -2.798401
H -2.918007 0.324140 -2.314476
H -5.750493 -1.395033 -0.389355
H -4.660939 -2.325801 0.650847
H -4.771130 -2.696953 -1.067893
H 0.667190 -2.868759 2.525973
H -0.895608 -3.311220 2.017814


%chk=000212914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212914

0 1
O -0.202797 1.391487 0.498115
O 1.503576 -1.647851 0.537901
O -1.337293 -0.039309 2.011375
O -0.555823 -2.177064 -0.502692
N -2.414464 0.977731 0.186029
N 0.192111 -3.267111 1.434955
C 2.179321 0.727467 0.248661
C 2.407809 1.786006 -0.876903
C 1.067429 1.170227 1.229389
C 1.761914 -0.583101 -0.462434
C 3.467664 0.487526 1.079859
C 2.940834 3.162900 -0.417146
C 3.107024 4.138453 -1.603166
C -3.866484 -0.995734 -0.473073
C -3.711159 0.306456 0.360234
C -1.339384 0.696450 0.989521
C 0.287588 -2.351779 0.413620
C -3.752540 -0.719992 -1.988967
C -5.215612 -1.663256 -0.122927
H 3.121424 1.362997 -1.615968
H 1.448812 1.939891 -1.410833
H 1.328809 2.129521 1.709494
H 0.896489 0.405611 2.007571
H 2.583908 -0.946646 -1.106227
H 0.850346 -0.441881 -1.069412
H 3.349854 -0.397374 1.729193
H 3.709123 1.355223 1.720082
H 4.331581 0.310720 0.412141
H 2.245868 3.608404 0.321374
H 3.915139 3.042110 0.094798
H 2.141253 4.305547 -2.116290
H 3.818356 3.738209 -2.350370
H 3.486501 5.121028 -1.267624
H -3.037403 -1.672130 -0.188569
H -3.814520 0.071009 1.434321
H -4.513502 1.020853 0.086852
H -2.242635 1.552575 -0.638869
H -4.535600 -0.012040 -2.328047
H -3.871199 -1.655962 -2.564500
H -2.761345 -0.304896 -2.247471
H -6.067130 -1.005653 -0.388416
H -5.285883 -1.890840 0.957634
H -5.340003 -2.611148 -0.677647
H 0.884341 -3.273000 2.179936
H -0.670800 -3.794332 1.531193


