%chk=000016749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000016749

0 1
O -5.471330 -0.614795 -1.323665
O 3.551978 -1.769012 -0.903275
O 4.173574 -1.350834 1.227982
N -0.760637 -0.160589 0.968683
C 2.128575 -0.291489 0.322867
C 1.035489 -0.932149 -0.561788
C 1.583535 -0.258951 1.771332
C -0.291385 -0.167258 -0.456180
C 0.255492 0.507153 1.849127
C -2.092468 0.521080 1.096449
C 2.591220 1.073777 -0.172018
C -3.189905 -0.401525 0.540961
C -4.585461 0.173360 0.804213
C -5.663215 -0.674661 0.113089
C 3.390356 -1.175578 0.324831
C -7.095059 -0.166989 0.382366
C -7.530359 0.558146 -0.903112
C -6.381437 0.351972 -1.901245
C 3.138524 2.004898 0.725195
C 2.516643 1.406573 -1.533380
C 3.574703 3.253024 0.274175
C 2.952243 2.655697 -1.983188
C 3.478270 3.584580 -1.080627
C 4.709375 -2.642908 -1.099213
C 4.445157 -3.993633 -0.467228
H 0.881190 -1.984373 -0.243610
H 1.367075 -0.984590 -1.617661
H 2.326585 0.185741 2.462000
H 1.428948 -1.299821 2.126426
H -0.177106 0.855687 -0.877136
H -1.064324 -0.685735 -1.066952
H -0.123299 0.474839 2.894089
H 0.418196 1.576321 1.590163
H -2.284912 0.710298 2.175371
H -2.126100 1.508911 0.589573
H -3.056259 -0.552347 -0.551169
H -3.090819 -1.408564 0.993235
H -4.782966 0.221378 1.890937
H -4.643771 1.213727 0.429693
H -5.538029 -1.755427 0.334104
H -7.769807 -1.011926 0.603347
H -7.142494 0.500321 1.257796
H -7.713822 1.629483 -0.717466
H -8.476879 0.143048 -1.289213
H -6.690041 -0.106512 -2.853632
H -5.804733 1.271595 -2.088270
H 3.234957 1.751906 1.782596
H 2.125192 0.683716 -2.251077
H 3.995361 3.966550 0.980892
H 2.884871 2.902792 -3.041356
H 3.816522 4.557326 -1.431209
H 5.601116 -2.144017 -0.679628
H 4.758303 -2.677802 -2.202515
H 5.227186 -4.717336 -0.723814
H 3.482494 -4.409397 -0.790688
H 4.412890 -3.916980 0.630419


%chk=000016749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016749

0 1
O -5.547961 -0.649980 -1.333687
O 3.676569 -1.716080 -0.879323
O 4.128656 -1.374630 1.378636
N -0.796945 -0.190910 1.008699
C 2.128667 -0.300322 0.354361
C 1.024279 -0.957159 -0.524860
C 1.565187 -0.218635 1.807104
C -0.338440 -0.243966 -0.402797
C 0.209143 0.506150 1.851667
C -2.142804 0.421883 1.149070
C 2.615657 1.085285 -0.161426
C -3.273766 -0.428480 0.537234
C -4.668428 0.168039 0.825191
C -5.801444 -0.622708 0.144155
C 3.398077 -1.181266 0.378048
C -7.212824 0.003666 0.316533
C -7.411606 0.829084 -0.982597
C -6.713299 -0.059708 -2.029550
C 3.473189 1.870338 0.656121
C 2.288875 1.580685 -1.449161
C 3.968147 3.115326 0.212176
C 2.780563 2.827832 -1.896316
C 3.619192 3.605281 -1.067130
C 4.921421 -2.538703 -0.995279
C 4.645482 -3.994619 -0.610096
H 0.891835 -1.999827 -0.180315
H 1.335693 -1.011092 -1.581447
H 2.282155 0.277535 2.481744
H 1.429349 -1.248698 2.185453
H -0.282093 0.787644 -0.836672
H -1.079634 -0.806080 -0.997007
H -0.161387 0.516562 2.894030
H 0.341849 1.573758 1.535355
H -2.335073 0.544028 2.234213
H -2.172555 1.451146 0.699346
H -3.162650 -0.511774 -0.559020
H -3.207085 -1.454346 0.951090
H -4.854347 0.176457 1.919967
H -4.707672 1.220864 0.477632
H -5.777320 -1.675478 0.490446
H -7.981296 -0.788747 0.380421
H -7.281391 0.622713 1.227742
H -6.901021 1.805816 -0.903208
H -8.474800 1.008617 -1.217595
H -7.390231 -0.867624 -2.379748
H -6.327490 0.493061 -2.903282
H 3.776148 1.497898 1.640922
H 1.652845 0.996025 -2.119780
H 4.629974 3.698689 0.862470
H 2.508794 3.189602 -2.894652
H 4.000267 4.572352 -1.413984
H 5.696976 -2.091905 -0.348639
H 5.200576 -2.434327 -2.055984
H 5.550414 -4.605741 -0.785820
H 3.823328 -4.413063 -1.216196
H 4.379657 -4.071768 0.457342


