%chk=000286417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286417

0 1
O 3.405532 -1.963663 -1.335674
N 2.390635 -0.413272 -2.677024
N -5.032609 -1.369218 1.237720
N -5.386051 1.066994 1.288546
N 3.744105 0.279443 -0.800663
N -3.781402 2.528492 0.413853
N -6.995357 -0.423681 2.164436
C -2.142974 0.288526 -0.521172
C 0.259470 0.637594 -1.931074
C -3.400001 0.105828 0.215487
C 1.552485 0.811460 -2.692747
C -2.123752 0.183712 -1.921716
C -0.952277 0.571730 0.169126
C -0.927810 0.355496 -2.620821
C 0.241174 0.743125 -0.532704
C -3.866084 -1.182605 0.563862
C -4.189744 1.220744 0.620985
C -3.095537 -2.410018 0.215830
C 3.186110 -0.782855 -1.549688
C -5.765857 -0.233070 1.561183
C 4.658512 0.121526 0.290210
C 5.195719 1.301984 0.846985
C 5.001034 -1.135094 0.817743
C 6.067954 1.207968 1.932152
C 5.875576 -1.202605 1.902605
C 6.410852 -0.038630 2.464583
H 1.354021 1.052120 -3.766329
H 2.127195 1.680675 -2.300835
H -3.045384 -0.038040 -2.458278
H -0.965892 0.649348 1.256344
H -0.922988 0.266811 -3.706487
H 1.161209 0.949017 0.014786
H 1.918528 -1.226753 -3.098105
H -3.592670 -3.328897 0.568689
H -2.964186 -2.502534 -0.872813
H -2.089312 -2.386859 0.662918
H 3.604884 1.236404 -1.133546
H -4.425398 3.281551 0.608712
H -3.034379 2.722461 -0.232059
H 4.941565 2.277505 0.443517
H 4.591982 -2.052846 0.380489
H -7.233785 -1.340541 2.511390
H -7.480980 0.368304 2.555826
H 6.484733 2.116764 2.365621
H 6.142847 -2.176780 2.313264
H 7.091209 -0.103321 3.309773


%chk=000286417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286417

0 1
O 4.756781 -2.220561 -0.620318
N 2.877511 -2.283622 -1.984432
N -5.304770 0.606883 0.477769
N -3.906040 0.683792 2.483190
N 3.258249 -0.388119 -0.632953
N -1.639284 0.185617 2.417911
N -6.178599 1.232321 2.556527
C -1.737562 -0.408307 -0.462548
C 0.578833 -1.226822 -1.954405
C -2.931897 0.019022 0.319788
C 1.798295 -1.666905 -2.772631
C -1.268807 0.351718 -1.569670
C -1.014948 -1.588472 -0.119188
C -0.130406 -0.050107 -2.301692
C 0.122632 -1.988790 -0.849482
C -4.220356 0.203556 -0.257203
C -2.833689 0.287201 1.735139
C -4.507262 -0.048594 -1.723251
C 3.704918 -1.649890 -1.043544
C -5.091249 0.827805 1.815350
C 3.895487 0.510991 0.266613
C 3.205023 1.718928 0.565648
C 5.161316 0.262182 0.862682
C 3.769566 2.664893 1.444449
C 5.712401 1.222073 1.739387
C 5.030458 2.423825 2.038914
H 1.479441 -2.423213 -3.514885
H 2.176671 -0.798926 -3.353607
H -1.794371 1.273232 -1.843733
H -1.367481 -2.205896 0.715300
H 0.210737 0.560276 -3.148033
H 0.670642 -2.893242 -0.561443
H 3.234766 -3.196375 -2.267650
H -5.533690 -0.436290 -1.825593
H -4.458048 0.896612 -2.296838
H -3.793674 -0.757202 -2.173121
H 2.321058 -0.106954 -0.935912
H -1.639590 0.415241 3.409352
H -0.773787 -0.061842 1.946107
H 2.227874 1.916283 0.104250
H 5.682009 -0.670756 0.639402
H -7.074629 1.342412 2.090476
H -6.066568 1.409625 3.550457
H 3.224711 3.590426 1.662393
H 6.689175 1.021819 2.194686
H 5.471060 3.158452 2.721244


