%chk=000280475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280475

0 1
O 5.240214 0.138650 -0.706448
O -5.290219 0.469426 -1.210580
O -5.314055 -0.953718 0.417051
N 2.900232 -0.198932 0.892725
N 1.646048 -0.474726 0.515365
N 0.875685 0.490218 0.197255
N -4.738785 -0.187992 -0.341271
C 3.549811 1.140870 0.748217
C 3.852018 -1.332492 0.671440
C 4.309274 1.234178 -0.582335
C 4.608372 -1.154317 -0.655796
C -0.524156 0.214001 0.070210
C -1.205365 0.958443 -0.918972
C -1.229310 -0.661189 0.922043
C -3.279673 -0.049001 -0.197854
C -2.581590 0.825691 -1.051164
C -2.607910 -0.791025 0.788193
H 4.248119 1.258163 1.607995
H 2.792750 1.953443 0.833049
H 3.315603 -2.307339 0.698652
H 4.562385 -1.325023 1.531076
H 3.628005 1.236444 -1.451413
H 4.978089 2.113659 -0.622943
H 5.471043 -1.841314 -0.739231
H 3.945409 -1.272730 -1.531060
H -0.646821 1.635896 -1.567157
H -0.694946 -1.232653 1.682162
H -3.131941 1.392796 -1.810952
H -3.175587 -1.465029 1.440242


%chk=000280475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280475

0 1
O 5.631185 -0.016888 -0.245466
O -5.598183 0.783462 -0.489739
O -5.330652 -1.396116 0.137608
N 2.861926 -0.103951 0.399569
N 1.534208 -0.369548 0.402398
N 0.776783 0.647596 0.026706
N -4.859246 -0.225371 -0.153536
C 3.477175 1.200790 0.058195
C 3.754584 -1.162342 0.899513
C 4.703072 0.956278 -0.846983
C 4.957625 -1.311322 -0.056204
C -0.611963 0.336742 0.007451
C -1.468955 1.413820 -0.358215
C -1.181536 -0.936753 0.318598
C -3.399641 -0.030511 -0.098693
C -2.860491 1.238807 -0.412799
C -2.570132 -1.119486 0.266188
H 3.788992 1.706662 0.993462
H 2.709843 1.815832 -0.439987
H 3.173169 -2.096320 0.969976
H 4.122565 -0.889634 1.909002
H 4.371210 0.594049 -1.843291
H 5.285558 1.883370 -0.967850
H 5.716826 -1.983386 0.374485
H 4.619487 -1.710864 -1.036359
H -1.012667 2.380320 -0.592717
H -0.521078 -1.762049 0.597734
H -3.534169 2.053517 -0.689896
H -3.032799 -2.082305 0.499349


