%chk=000290252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290252

0 1
O -2.476376 -0.848500 0.193752
O -1.206634 0.930860 1.731894
O -3.427433 0.718598 -1.131997
N 1.773865 -0.125726 -0.189332
C -0.226645 -1.652559 -0.067957
C 0.204473 1.801716 -0.029376
C 1.146021 -1.362798 -0.747763
C 1.275542 1.090436 -0.903976
C -1.152239 -0.417413 -0.252381
C 3.276413 -0.216523 -0.056610
C -0.746067 0.778251 0.627585
C -0.047804 -1.968430 1.419213
C -0.867827 -2.851975 -0.789542
C 0.872747 2.629689 1.073244
C -0.677799 2.699636 -0.911242
C 3.802089 1.087086 0.576478
C 3.598424 -1.385235 0.898506
C 3.976464 -0.446203 -1.415159
C -3.557920 -0.152958 -0.301564
C -4.798250 -0.670702 0.334935
H 1.804444 -2.242352 -0.560507
H 1.016355 -1.310350 -1.850110
H 0.848425 0.844403 -1.900319
H 2.096407 1.810851 -1.110035
H -1.231951 -0.123058 -1.323120
H -1.018501 -1.983047 1.934307
H 0.438267 -2.933088 1.580542
H 0.563820 -1.201207 1.916462
H -1.856904 -3.067806 -0.360634
H -1.013856 -2.667911 -1.857703
H -0.263658 -3.757677 -0.682546
H 1.384804 3.507196 0.671142
H 0.134080 2.975901 1.810166
H 1.610654 2.023122 1.623960
H -0.077114 3.379408 -1.522764
H -1.329207 2.125208 -1.585263
H -1.344630 3.322144 -0.298938
H 3.783859 1.927194 -0.125532
H 3.182894 1.374196 1.442947
H 4.832077 0.971764 0.925104
H 3.268712 -2.350497 0.496386
H 3.090849 -1.249259 1.862176
H 4.672525 -1.454913 1.090533
H 5.065164 -0.449965 -1.299315
H 3.698447 -1.404217 -1.862771
H 3.730877 0.337420 -2.137143
H -5.207784 0.076956 1.035611
H -4.620505 -1.591439 0.913867
H -5.574395 -0.875330 -0.417413


%chk=000290252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290252

0 1
O -2.592577 -0.949880 0.063450
O -1.636247 1.099496 1.542428
O -3.453958 0.824076 -1.177930
N 1.838665 -0.141736 -0.136787
C -0.246886 -1.651616 0.094417
C 0.144926 1.774167 0.008749
C 1.152975 -1.389584 -0.549972
C 1.242697 1.038725 -0.817273
C -1.221640 -0.482328 -0.261316
C 3.360386 -0.214259 -0.144389
C -0.943716 0.817331 0.532288
C -0.122877 -1.821885 1.627160
C -0.793299 -2.956622 -0.547302
C 0.768591 2.535674 1.200847
C -0.594311 2.778657 -0.935072
C 3.947699 1.048313 0.540396
C 3.829530 -1.433346 0.698788
C 3.925144 -0.338313 -1.592912
C -3.638163 -0.153291 -0.416309
C -4.964191 -0.638222 0.118614
H 1.774465 -2.253857 -0.267407
H 1.025094 -1.430245 -1.662972
H 0.820853 0.744686 -1.808794
H 2.020411 1.790666 -1.036362
H -1.174515 -0.271353 -1.348523
H -1.118835 -1.841030 2.102624
H 0.395182 -2.770418 1.862543
H 0.458197 -0.992727 2.067118
H -1.745676 -3.252385 -0.079993
H -0.967287 -2.834600 -1.633467
H -0.065779 -3.778188 -0.406533
H 1.427897 3.344916 0.835258
H -0.021941 2.974921 1.831007
H 1.365345 1.848272 1.824901
H 0.145424 3.453090 -1.406780
H -1.162303 2.262192 -1.729207
H -1.309319 3.390687 -0.359331
H 3.674068 1.986546 0.028294
H 3.601001 1.114701 1.586325
H 5.050987 0.984593 0.540067
H 3.722323 -2.395260 0.166961
H 3.260749 -1.483715 1.644323
H 4.900780 -1.319802 0.943217
H 5.026572 -0.434902 -1.576583
H 3.514623 -1.230945 -2.099833
H 3.673970 0.550124 -2.201599
H -5.093888 -0.254285 1.146872
H -4.992285 -1.738618 0.166422
H -5.783664 -0.257521 -0.508627


