%chk=000211872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211872

0 1
O 2.476980 -2.023417 0.388468
O 4.109035 0.491083 -1.703859
O 0.439559 -2.988730 0.543841
O -5.859689 -0.673670 0.247735
N 0.671498 -0.643807 0.210555
N -4.654542 1.261806 -0.102096
C 3.047348 -0.698372 0.137982
C 1.843297 0.266241 0.072992
C 3.810648 -0.816036 -1.189716
C -0.677143 -0.176598 0.130007
C 1.079417 -1.982763 0.391422
C -1.749385 -1.080364 0.287241
C -0.937783 1.186406 -0.101185
C -3.060620 -0.627828 0.214530
C -2.255078 1.638903 -0.173572
C -3.324603 0.736740 -0.016596
C 5.309291 1.114584 -1.197770
C -5.850035 0.521440 0.035420
C 5.148382 1.612940 0.149972
C -7.094076 1.355443 -0.106320
C 5.018809 2.040905 1.268705
H 3.714937 -0.508440 1.003043
H 1.863150 1.011133 0.895705
H 1.817127 0.823344 -0.892072
H 3.170283 -1.243448 -1.989443
H 4.718060 -1.433201 -1.085367
H -1.558748 -2.145631 0.467469
H -0.130529 1.903598 -0.228245
H -3.888699 -1.338906 0.338302
H -2.440688 2.696019 -0.353360
H 6.164796 0.412100 -1.279703
H 5.438823 1.946068 -1.930543
H -4.718647 2.264722 -0.279946
H -7.164795 2.142292 0.655645
H -7.984318 0.713868 0.015775
H -7.176807 1.825543 -1.094789
H 4.915644 2.410232 2.229673


%chk=000211872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211872

0 1
O 2.525545 -1.770021 0.727056
O 3.963901 0.826173 -1.581333
O 0.477916 -2.896028 0.763370
O -6.040935 -0.870041 -0.162706
N 0.625045 -0.533304 0.379119
N -4.806511 1.128757 -0.159943
C 2.984923 -0.408667 0.330176
C 1.711268 0.469966 0.392778
C 3.580016 -0.509198 -1.089271
C -0.746925 -0.158246 0.252163
C 1.103391 -1.828988 0.628132
C -1.792470 -1.121123 0.218042
C -1.084822 1.218598 0.151361
C -3.135547 -0.724132 0.083798
C -2.427659 1.613888 0.017138
C -3.469913 0.652646 -0.020208
C 5.399478 1.142749 -1.462159
C -5.992839 0.393966 -0.224368
C 5.892034 1.274075 -0.076670
C -7.256742 1.239253 -0.378894
C 6.320788 1.390682 1.073917
H 3.750211 -0.093235 1.053364
H 1.670514 1.079787 1.315219
H 1.664630 1.142410 -0.480781
H 2.813404 -0.883618 -1.791624
H 4.440023 -1.206263 -1.089731
H -1.550206 -2.181953 0.306810
H -0.312003 1.991794 0.180117
H -3.932302 -1.469262 0.058049
H -2.662641 2.683499 -0.058972
H 5.998976 0.375496 -1.995472
H 5.509308 2.102050 -1.996949
H -4.903102 2.144571 -0.221335
H -7.071932 2.327408 -0.412119
H -7.937484 1.020085 0.461635
H -7.776202 0.939062 -1.305278
H 6.699761 1.491362 2.075470


