%chk=000211400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211400

0 1
O 2.249514 0.409249 -0.610551
O -2.019301 0.214790 0.140420
O 1.497227 -1.057142 1.279077
O -2.111318 -1.034377 2.021230
N 0.955398 3.143438 -1.340137
C 2.518870 1.294124 -1.741020
C 1.101300 1.832826 -2.050975
C 3.343577 2.515610 -1.302353
C 2.354348 3.704580 -1.337705
C 0.460377 2.993519 0.072810
C -0.907827 2.300982 0.144458
C -0.771812 0.849158 0.592266
C 3.241587 -0.426945 -0.157034
C 2.809499 -1.268219 0.922025
C 4.542174 -0.510995 -0.632238
C 3.694801 -2.172651 1.492246
C 5.429170 -1.435231 -0.043751
C 5.012789 -2.250211 0.998811
C -2.602613 -0.716976 0.955615
C -3.853827 -1.237605 0.352129
C 0.949112 -1.903656 2.321030
C -4.599381 -2.178963 1.080498
C -4.291624 -0.810574 -0.910195
C -5.782005 -2.690132 0.542380
C -5.475716 -1.326817 -1.442295
C -6.219146 -2.264522 -0.717287
H 2.970969 0.706021 -2.557023
H 0.321104 1.098565 -1.763757
H 0.984188 2.024222 -3.137658
H 4.208612 2.689082 -1.959531
H 3.746328 2.361679 -0.284256
H 2.469211 4.287843 -2.275405
H 2.516746 4.407509 -0.502007
H 1.193420 2.456397 0.718611
H 0.364707 4.026162 0.477411
H -1.574280 2.851066 0.836504
H -1.426726 2.347822 -0.838032
H 0.044482 0.291562 0.081797
H -0.662782 0.731851 1.684077
H 4.887173 0.119002 -1.445967
H 3.390308 -2.819694 2.309418
H 6.447948 -1.500206 -0.420087
H 5.701907 -2.961803 1.449629
H 0.990019 -2.953676 2.023484
H 1.462614 -1.721618 3.267253
H -0.098548 -1.551105 2.364139
H -4.246079 -2.502442 2.063275
H -3.702257 -0.077157 -1.466928
H -6.363446 -3.419967 1.103772
H -5.819123 -0.998150 -2.422037
H -7.142767 -2.665425 -1.135034


%chk=000211400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211400

0 1
O 2.555076 0.420047 -0.803807
O -2.561675 0.363947 0.179147
O 1.643237 -1.247592 1.026763
O -2.182364 -1.388773 1.668986
N 1.185317 3.104355 -1.473206
C 2.977863 1.472742 -1.762146
C 1.653819 2.008599 -2.369820
C 3.589527 2.715045 -1.046220
C 2.463033 3.812278 -1.150352
C 0.478374 2.629631 -0.237589
C -0.898592 1.991740 -0.544870
C -1.209271 0.917095 0.498843
C 3.527787 -0.360348 -0.166246
C 3.027233 -1.282388 0.810591
C 4.913383 -0.305244 -0.429989
C 3.927317 -2.139976 1.480646
C 5.807216 -1.168474 0.250875
C 5.315168 -2.084906 1.199498
C -2.929839 -0.802387 0.841555
C -4.295821 -1.264587 0.454574
C 1.088789 -2.181192 2.019631
C -4.795218 -2.451240 1.051641
C -5.091647 -0.554167 -0.481653
C -6.079667 -2.924612 0.714284
C -6.376552 -1.031421 -0.815662
C -6.872646 -2.215703 -0.219983
H 3.647615 1.020676 -2.519624
H 0.909745 1.207081 -2.487687
H 1.865421 2.440770 -3.367512
H 4.522214 3.047417 -1.536113
H 3.831139 2.466734 0.001357
H 2.698355 4.508389 -1.977992
H 2.355245 4.403716 -0.225871
H 1.094864 1.898748 0.331932
H 0.334023 3.518241 0.404416
H -1.691720 2.760220 -0.564848
H -0.889389 1.518214 -1.542383
H -0.464098 0.102250 0.471346
H -1.247408 1.325208 1.526839
H 5.304245 0.409508 -1.160416
H 3.555425 -2.851407 2.223604
H 6.879314 -1.115429 0.034245
H 5.999789 -2.756113 1.728673
H 1.273310 -3.231190 1.719665
H 1.524994 -1.998931 3.021428
H 0.008518 -1.974893 2.031571
H -4.162956 -2.980932 1.771879
H -4.694407 0.358463 -0.934367
H -6.463281 -3.840922 1.175841
H -6.990890 -0.483546 -1.538422
H -7.871014 -2.583942 -0.481948


