%chk=000293485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293485

0 1
O 4.474201 -0.963544 0.001882
O -4.005610 -1.478612 -0.681440
N -3.290808 0.491794 0.227523
N 2.181816 -0.987041 0.195968
N 3.446254 1.083544 -0.340750
C -1.894517 0.128529 0.193811
C 0.818434 -0.560723 0.172151
C 5.579618 -0.038722 -0.275005
C 4.899172 1.335907 -0.507830
C 3.284845 -0.188907 -0.065839
C -1.502398 -1.194563 0.480844
C -0.921474 1.093072 -0.123095
C -0.155567 -1.539564 0.468953
C 0.431223 0.755384 -0.126010
C -3.624984 1.835419 0.758814
C -4.290046 -0.358372 -0.294287
C -5.694260 0.176519 -0.333197
H 6.087911 -0.447548 -1.159674
H 6.224782 -0.079478 0.613858
H 5.228034 2.103856 0.221673
H 5.090821 1.740191 -1.522760
H 2.375345 -1.974892 0.380740
H -2.259561 -1.956844 0.689054
H -1.210420 2.111122 -0.380905
H 0.133207 -2.566286 0.686500
H 1.174439 1.522350 -0.368963
H -3.791687 2.559685 -0.056152
H -2.811104 2.217106 1.400714
H -4.530041 1.793598 1.387993
H -5.775529 1.106149 -0.910478
H -6.100640 0.357365 0.670094
H -6.353456 -0.563992 -0.818087


%chk=000293485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293485

0 1
O 4.526795 -0.992006 0.000321
O -4.167874 -1.593998 -0.489162
N -3.311978 0.484274 0.205563
N 2.210887 -1.004670 0.137423
N 3.424341 1.060920 -0.305437
C -1.921299 0.089435 0.167177
C 0.851204 -0.598310 0.139685
C 5.626642 -0.008334 -0.251314
C 4.882858 1.361623 -0.445624
C 3.324915 -0.223006 -0.068229
C -1.507872 -1.254882 0.381639
C -0.919987 1.070471 -0.062715
C -0.142492 -1.586573 0.366403
C 0.450163 0.743483 -0.075346
C -3.594690 1.894063 0.559445
C -4.359137 -0.381718 -0.167480
C -5.775997 0.198849 -0.174092
H 6.170770 -0.344108 -1.149309
H 6.293878 -0.027201 0.625876
H 5.183377 2.104819 0.314807
H 5.077725 1.797374 -1.441992
H 2.406729 -1.993479 0.299958
H -2.254676 -2.032658 0.536938
H -1.197661 2.111448 -0.254780
H 0.151884 -2.630667 0.533643
H 1.212138 1.505833 -0.256764
H -3.523843 2.569413 -0.315919
H -2.872648 2.230087 1.321451
H -4.602257 1.987691 0.987665
H -5.857466 1.123581 -0.772448
H -6.134539 0.419364 0.849118
H -6.431890 -0.568617 -0.610400


