%chk=000297868.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297868

0 1
O 6.289650 -0.810412 0.532086
O 2.800142 1.330873 2.278762
O -2.174709 -0.549826 0.491078
O 1.848438 1.712991 -2.079373
O -1.862666 1.729414 0.549783
N 3.328235 0.673852 0.152805
N 0.851135 2.505223 -0.179990
N 5.347310 0.024947 2.423900
N -1.183803 0.443094 -1.272323
C 3.850936 -0.651597 0.556850
C 3.915486 -1.598414 -0.652618
C 2.558452 -1.964906 -1.181980
C 5.283377 -0.475564 1.132922
C 2.763106 1.540905 1.073308
C 2.072734 -1.372409 -2.357596
C 1.778586 -2.925599 -0.518567
C 2.128956 2.811070 0.482479
C 0.837282 -1.763468 -2.881060
C 0.536837 -3.300782 -1.037279
C 0.066687 -2.727941 -2.223822
C 0.827408 1.917934 -1.436348
C -0.566947 1.572656 -1.983431
C -4.385568 -0.218123 1.438710
C -2.942323 -0.492093 1.743496
C -4.819531 1.102605 1.248390
C -5.301612 -1.275415 1.346529
C -1.751486 0.654141 -0.020075
C -6.164791 1.362319 0.977386
C -6.647484 -1.009893 1.077097
C -7.080102 0.307360 0.894074
H 3.186531 -1.088204 1.354776
H 4.556705 -1.154229 -1.448270
H 4.477236 -2.516380 -0.360779
H 3.265520 0.861090 -0.861639
H 2.653331 -0.600673 -2.867038
H 2.144171 -3.386514 0.397445
H 2.833617 3.300620 -0.234620
H 1.954230 3.537693 1.312528
H 0.483383 -1.322881 -3.812122
H -0.063377 -4.048181 -0.519902
H -0.888420 -3.043379 -2.639197
H -0.003919 2.603034 0.389524
H 6.247393 0.224851 2.834219
H 4.537226 0.441879 2.882121
H -1.233846 2.469993 -1.936984
H -0.463054 1.305806 -3.064570
H -2.489906 0.269014 2.408229
H -2.751948 -1.508704 2.138048
H -0.949151 -0.504588 -1.581133
H -4.097872 1.923416 1.302528
H -4.968645 -2.303381 1.480534
H -6.500338 2.387901 0.830561
H -7.358993 -1.831123 1.008024
H -8.129009 0.511900 0.685124


%chk=000297868-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297868

0 1
O 6.482316 -0.938161 0.340171
O 3.030120 1.257515 2.454009
O -2.286182 -0.586785 0.407914
O 2.030123 1.812971 -1.989502
O -1.812571 1.720213 0.566167
N 3.406579 0.697300 0.218307
N 0.900947 2.407028 -0.038357
N 5.605530 0.138326 2.215519
N -1.051172 0.419084 -1.222610
C 4.018133 -0.622132 0.493509
C 3.969815 -1.516972 -0.764801
C 2.570205 -1.895933 -1.232918
C 5.495994 -0.486336 0.995324
C 2.894715 1.500317 1.204084
C 2.152298 -1.609901 -2.557736
C 1.670775 -2.589473 -0.378961
C 2.130429 2.744749 0.700763
C 0.881659 -2.018926 -3.025820
C 0.396146 -2.990290 -0.835203
C -0.003980 -2.712461 -2.166122
C 0.941862 1.945927 -1.329900
C -0.426629 1.550922 -1.924803
C -4.547210 -0.226766 1.401813
C -3.085969 -0.493583 1.684840
C -5.022245 1.104424 1.271333
C -5.459290 -1.303777 1.265141
C -1.724864 0.604675 -0.043236
C -6.386821 1.350441 1.003783
C -6.824590 -1.058591 0.997899
C -7.290770 0.270415 0.866972
H 3.441277 -1.079307 1.322934
H 4.527839 -1.016454 -1.576516
H 4.552904 -2.426478 -0.529457
H 3.245545 0.990655 -0.762958
H 2.827335 -1.065664 -3.227830
H 1.973757 -2.829583 0.647968
H 2.791200 3.336767 0.039971
H 1.863491 3.346331 1.582015
H 0.590631 -1.808088 -4.061455
H -0.282709 -3.524068 -0.161296
H -0.980059 -3.052557 -2.530863
H -0.018725 2.428465 0.437195
H 6.535917 0.279986 2.609244
H 4.760934 0.522086 2.671618
H -1.115001 2.414447 -1.890306
H -0.255758 1.265238 -2.973242
H -2.634413 0.299496 2.304527
H -2.926913 -1.482395 2.142244
H -0.876840 -0.537805 -1.549341
H -4.314133 1.935057 1.369346
H -5.098311 -2.334775 1.366882
H -6.746363 2.380779 0.905751
H -7.522266 -1.897197 0.895931
H -8.350091 0.462745 0.662657


