%chk=000296202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296202

0 1
O 2.694490 -1.901805 0.164425
O 4.425664 0.883824 0.801726
O 0.452711 -2.162442 0.330240
O 4.576099 0.318942 -1.392543
N 0.202936 0.760084 -0.252787
N 1.940738 2.177685 -0.638520
C 1.393350 0.000995 -0.153560
C 2.441728 0.906665 -0.398131
C -1.120812 0.252489 -0.075854
C 0.590637 2.078178 -0.550273
C -2.219479 1.003928 -0.259272
C -3.578949 0.476776 -0.073251
C 1.406410 -1.436076 0.137786
C 3.906227 0.655693 -0.449945
C -4.579612 1.331182 0.425307
C -3.899744 -0.853158 -0.393462
C -5.878380 0.853885 0.609837
C -5.203482 -1.321730 -0.210267
C -6.193283 -0.472160 0.292517
C 2.860321 -3.323722 0.434578
C 5.864245 0.718170 0.939212
H -1.157488 -0.812909 0.227483
H -0.102609 2.898480 -0.686576
H -2.169372 2.056767 -0.549661
H -4.341777 2.363611 0.675701
H -3.136966 -1.521383 -0.792513
H -6.649154 1.516592 1.001565
H -5.447091 -2.353815 -0.460709
H -7.207659 -0.840705 0.436091
H 3.923807 -3.474698 0.215068
H 2.216714 -3.912219 -0.227876
H 2.622834 -3.514520 1.485480
H 6.376410 1.455733 0.312994
H 6.148908 -0.299776 0.656435
H 6.019828 0.908838 2.006555


%chk=000296202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296202

0 1
O 2.558672 -2.080769 0.582493
O 4.657729 1.409484 0.592242
O 0.467070 -2.363662 -0.407372
O 4.466592 -0.378030 -0.892237
N 0.231417 0.637064 -0.157319
N 1.980434 2.098156 -0.153003
C 1.413523 -0.140607 -0.092155
C 2.475981 0.788793 -0.091251
C -1.105020 0.139502 -0.167386
C 0.642120 1.972474 -0.190699
C -2.197252 0.900572 0.130601
C -3.594903 0.441919 0.083929
C 1.398460 -1.610324 -0.009045
C 3.934239 0.512469 -0.188147
C -4.619204 1.344359 0.491252
C -3.979008 -0.862284 -0.347167
C -5.976680 0.961736 0.475858
C -5.334094 -1.243982 -0.360308
C -6.341322 -0.336038 0.050479
C 2.739204 -3.551562 0.570688
C 6.131221 1.281836 0.495028
H -1.161367 -0.916319 -0.440975
H -0.054363 2.801323 -0.276673
H -2.056303 1.942862 0.450006
H -4.342994 2.352794 0.824371
H -3.219924 -1.580115 -0.676905
H -6.747201 1.672504 0.793972
H -5.610311 -2.250239 -0.694333
H -7.394360 -0.637408 0.035985
H 3.703334 -3.714399 1.070623
H 2.764777 -3.918375 -0.468798
H 1.915024 -4.042029 1.115049
H 6.461053 1.459565 -0.542567
H 6.450240 0.273275 0.808139
H 6.521415 2.052853 1.173423


