%chk=000205909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205909

0 1
O -0.198929 1.564946 1.411601
O -4.847812 1.242888 -0.076182
N -0.032978 -0.469660 0.418171
C 3.839442 -0.723128 0.583704
C 4.048972 1.450449 -0.042636
C 2.434084 -0.389021 -0.015428
C 2.554067 1.134110 -0.370449
C 4.241752 0.618793 1.259382
C 4.847221 -0.788160 -0.599319
C 4.985123 0.697819 -1.029729
C 1.319110 -0.679630 1.003772
C 2.139761 1.455667 -1.800255
C -0.589935 -1.560685 -0.418629
C -0.718614 0.714368 0.697372
C -1.610158 -2.401983 0.365995
C -2.101879 0.876985 0.097648
C -2.226743 -3.517677 -0.503200
C -2.738022 2.189159 0.550351
C -3.162322 -2.937827 -1.570723
C -2.983718 -4.512083 0.386989
C -4.227442 2.216134 0.291652
C -4.895825 3.541042 0.528758
H 3.857353 -1.606251 1.230199
H 4.260797 2.521685 0.036990
H 2.257592 -0.986500 -0.933250
H 1.907639 1.728893 0.323315
H 3.582206 0.921684 2.081028
H 5.268140 0.629369 1.642482
H 5.811554 -1.204310 -0.273097
H 4.486316 -1.423991 -1.418901
H 4.689159 0.852481 -2.077123
H 6.022171 1.050600 -0.934681
H 1.427563 -0.011476 1.894355
H 1.394209 -1.723705 1.375875
H 2.275814 2.521252 -2.017475
H 1.083041 1.217129 -1.963315
H 2.725308 0.893725 -2.537151
H -1.059449 -1.130082 -1.332193
H 0.242230 -2.206071 -0.779372
H -1.122754 -2.842285 1.256938
H -2.415026 -1.749974 0.765798
H -2.055127 0.834984 -1.009872
H -2.755978 0.018119 0.390446
H -1.400179 -4.068822 -1.017649
H -2.540047 2.348917 1.637063
H -2.232721 3.049807 0.064813
H -3.984130 -2.365354 -1.122577
H -2.634023 -2.266478 -2.254705
H -3.615873 -3.730713 -2.175487
H -3.802514 -4.026671 0.930385
H -2.324569 -4.974771 1.128633
H -3.425503 -5.319495 -0.207412
H -4.610265 4.276835 -0.234753
H -4.640665 3.971100 1.505072
H -5.991522 3.444561 0.486577


%chk=000205909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205909

0 1
O -0.321826 1.730358 1.537147
O -4.929085 1.338048 0.789725
N -0.161121 -0.254566 0.330148
C 3.698326 -0.708067 0.787064
C 4.022327 1.335719 -0.171334
C 2.353898 -0.457727 0.026215
C 2.548351 0.991541 -0.576242
C 4.078470 0.727481 1.259879
C 4.809880 -0.987177 -0.268850
C 5.033278 0.424989 -0.930826
C 1.136099 -0.581596 0.973547
C 2.208756 1.109023 -2.073765
C -0.747896 -1.293948 -0.547624
C -0.819440 0.914347 0.689581
C -1.539672 -2.375263 0.231596
C -2.180696 1.188475 0.026390
C -1.971202 -3.585063 -0.639553
C -2.796781 2.507957 0.517526
C -2.950169 -3.176545 -1.767992
C -2.601334 -4.683202 0.250060
C -4.303028 2.433536 0.759315
C -5.017794 3.762271 0.975919
H 3.628370 -1.479868 1.574111
H 4.249749 2.412763 -0.250132
H 2.250133 -1.198508 -0.794127
H 1.886941 1.686455 -0.021342
H 3.346244 1.179155 1.952377
H 5.083419 0.775710 1.717622
H 5.733393 -1.349299 0.219537
H 4.497531 -1.755137 -1.000553
H 4.862044 0.416458 -2.021323
H 6.066713 0.782026 -0.767127
H 1.249758 0.106189 1.828264
H 1.080647 -1.616658 1.368653
H 2.422090 2.125222 -2.456344
H 1.134937 0.904826 -2.244646
H 2.784199 0.390343 -2.686998
H -1.394385 -0.820753 -1.304497
H 0.081786 -1.777370 -1.099321
H -0.909131 -2.742021 1.066127
H -2.438619 -1.917818 0.691890
H -2.065332 1.200038 -1.074310
H -2.891370 0.369508 0.255598
H -1.057116 -4.008060 -1.111086
H -2.300255 2.784816 1.473829
H -2.578932 3.354302 -0.162056
H -3.855204 -2.699698 -1.344564
H -2.494263 -2.466623 -2.482419
H -3.274988 -4.062659 -2.344138
H -3.519357 -4.307431 0.741370
H -1.903650 -5.011447 1.043194
H -2.878849 -5.570732 -0.348376
H -5.190907 4.247560 -0.005000
H -4.405320 4.456439 1.578645
H -5.993716 3.598380 1.459019


