%chk=000298378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298378

0 1
O 1.222464 2.957216 -0.374309
O -2.909801 2.988298 -0.567515
N -2.872780 0.485226 -0.211815
N -1.305795 -1.847754 0.166845
N 2.717508 0.811023 -0.195831
N -3.279207 -3.173350 0.312440
C -1.509186 0.597613 -0.190395
C -0.730016 -0.666267 0.009939
C -0.874707 1.841671 -0.345035
C 1.349944 0.615570 -0.155142
C 0.706459 -0.571966 0.022609
C 0.565055 1.929234 -0.304453
C -3.507574 -0.759188 -0.046871
C -2.704170 -1.928221 0.145024
C -1.674752 3.056465 -0.539446
C -4.922133 -0.881379 -0.065463
C 3.731228 -0.199393 -0.173919
C -1.009723 4.377639 -0.706545
C -5.473227 -2.132859 0.103761
C -4.612217 -3.256168 0.290478
C 4.949331 0.122026 0.461701
C 3.563943 -1.442918 -0.805283
C 5.982376 -0.814217 0.469646
C 4.610756 -2.368053 -0.780041
C 5.817212 -2.061053 -0.145350
H -3.457514 1.369129 -0.354119
H 1.246776 -1.508792 0.196501
H 3.041354 1.792683 -0.205205
H -5.546205 0.002482 -0.210905
H -0.317258 4.382655 -1.565500
H -0.372497 4.626408 0.160260
H -1.739433 5.187005 -0.844352
H -6.552724 -2.280492 0.097781
H -5.038867 -4.260897 0.426877
H 5.083514 1.085192 0.949860
H 2.635838 -1.685925 -1.323029
H 6.924438 -0.572681 0.962498
H 4.481180 -3.336274 -1.265122
H 6.626811 -2.787692 -0.129672


%chk=000298378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298378

0 1
O 1.331914 2.853656 -0.368513
O -2.949357 2.959083 -0.491551
N -2.899037 0.464741 -0.212029
N -1.452097 -1.932914 0.110183
N 2.685444 0.657713 -0.169216
N -3.461572 -3.166482 0.240943
C -1.528802 0.530816 -0.197209
C -0.807122 -0.742625 -0.033506
C -0.857626 1.788455 -0.323331
C 1.322634 0.467110 -0.166549
C 0.621895 -0.728360 -0.023035
C 0.598224 1.795710 -0.296018
C -3.596317 -0.725129 -0.074382
C -2.833599 -1.943660 0.093857
C -1.650086 3.021444 -0.471592
C -5.014774 -0.772903 -0.091521
C 3.770162 -0.250398 -0.159890
C -1.007866 4.381124 -0.606289
C -5.630862 -2.022509 0.058213
C -4.811729 -3.183659 0.220892
C 5.028459 0.247268 0.284084
C 3.678871 -1.593982 -0.616503
C 6.164022 -0.585021 0.288876
C 4.823686 -2.418805 -0.602476
C 6.068534 -1.928236 -0.147076
H -3.332393 1.444969 -0.331686
H 1.109615 -1.690084 0.137016
H 2.906202 1.671095 -0.188286
H -5.597224 0.146114 -0.218384
H -0.318357 4.411064 -1.468167
H -0.374786 4.607820 0.269497
H -1.803621 5.134118 -0.716902
H -6.720289 -2.121070 0.052823
H -5.277339 -4.168884 0.339998
H 5.104210 1.284047 0.633603
H 2.743801 -1.985219 -1.022624
H 7.122989 -0.186788 0.637724
H 4.740350 -3.450421 -0.961685
H 6.950244 -2.577202 -0.138386


