%chk=000191315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191315

0 1
O 4.495316 0.388555 0.622759
O -3.767861 1.136575 -0.874042
O 0.988518 1.383142 -0.974910
O -4.248449 -2.125100 1.328003
O 2.112670 -4.530559 1.194636
O 3.384118 -2.757956 0.753298
O 6.726741 0.152033 1.076470
O -4.055042 3.009575 -2.153193
N 2.028045 -0.451850 -0.036352
N -2.725082 -0.452133 0.889473
C 0.879300 -1.124842 0.451645
C -1.515379 -1.181831 0.909983
C 0.983071 -2.480823 0.888156
C -0.365248 -0.484731 0.496496
C -1.428366 -2.535539 1.310360
C -0.194665 -3.154691 1.299763
C 3.344224 1.275458 -1.213826
C 2.025286 0.783271 -0.730763
C -5.125741 -0.007533 0.656436
C -4.043258 -0.980393 0.979691
C 4.581983 1.098193 -0.563013
C -5.017305 1.046736 -0.276903
C 3.334613 2.022808 -2.408718
C 2.249063 -3.188353 0.918072
C -6.365945 -0.191446 1.293871
C 5.773026 1.625845 -1.077616
C -6.087029 1.899586 -0.563532
C 4.511750 2.546532 -2.936848
C -7.440766 0.655282 1.024264
C 5.728637 2.346047 -2.269811
C -7.299204 1.696224 0.097855
C 5.593737 -0.084666 1.381357
C -3.342662 2.112556 -1.807917
C 5.012693 -0.852397 2.503864
C -1.956437 1.745576 -2.170036
H -0.440232 0.566265 0.195946
H -2.331320 -3.073797 1.618927
H -0.107465 -4.201803 1.616405
H 2.952396 -0.915908 0.134044
H -2.631241 0.544655 0.626807
H 2.378451 2.189452 -2.915409
H -6.475174 -1.018585 2.004135
H 6.723045 1.471897 -0.556355
H -5.977278 2.709831 -1.290471
H 4.487629 3.115151 -3.865088
H -8.392759 0.502883 1.530935
H 6.650540 2.759072 -2.684465
H -8.143591 2.355702 -0.113289
H 2.991690 -4.999960 1.200613
H 4.644614 -1.841915 2.146498
H 5.757748 -1.035564 3.293008
H 4.138256 -0.353830 2.953968
H -1.200849 2.238236 -1.522452
H -1.722993 2.044396 -3.205305
H -1.750919 0.662771 -2.076126


%chk=000191315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191315

0 1
O 4.621615 0.245251 0.556085
O -3.749779 1.626177 -0.469623
O 1.013147 1.263911 -1.176270
O -4.340815 -2.173497 1.441470
O 2.217545 -4.503529 1.613478
O 3.426089 -2.688304 0.848216
O 6.918113 0.233346 1.116471
O -4.303457 2.522152 -2.582796
N 2.021876 -0.541479 -0.057145
N -2.782595 -0.614202 0.641589
C 0.870960 -1.206942 0.428823
C -1.567663 -1.307925 0.804044
C 0.992791 -2.526330 1.007357
C -0.411789 -0.623285 0.350856
C -1.457406 -2.611813 1.367852
C -0.184750 -3.187868 1.457453
C 3.405838 1.069941 -1.346074
C 2.058787 0.618925 -0.828698
C -5.188454 -0.076508 0.562264
C -4.079155 -1.045979 0.919367
C 4.671357 0.895884 -0.711286
C -5.067737 1.168173 -0.124723
C 3.374485 1.771015 -2.580581
C 2.291615 -3.193401 1.129587
C -6.492076 -0.475894 0.962231
C 5.861696 1.381562 -1.303470
C -6.192273 1.978786 -0.388337
C 4.550154 2.254468 -3.184439
C -7.623557 0.316344 0.698369
C 5.792438 2.051778 -2.543341
C -7.471085 1.548939 0.022376
C 5.735831 -0.028454 1.403563
C -3.454817 2.327089 -1.701974
C 5.232827 -0.677862 2.667141
C -2.005723 2.740073 -1.697751
H -0.493838 0.370458 -0.089920
H -2.351540 -3.132038 1.711735
H -0.073180 -4.186789 1.887042
H 2.919333 -1.006472 0.170698
H -2.724237 0.329467 0.230447
H 2.395230 1.927864 -3.042581
H -6.572357 -1.434953 1.483974
H 6.816808 1.238031 -0.799451
H -6.071860 2.925974 -0.916635
H 4.498345 2.782037 -4.142029
H -8.614794 -0.019759 1.018345
H 6.717465 2.420687 -2.999343
H -8.341784 2.179174 -0.186765
H 3.138089 -4.877173 1.655828
H 4.736573 -1.629769 2.409352
H 6.077304 -0.857022 3.347671
H 4.481534 -0.034918 3.157159
H -1.749806 3.252277 -0.754984
H -1.818052 3.409573 -2.549589
H -1.328367 1.870910 -1.781740


