%chk=000218357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218357

0 1
O 0.403273 -2.515189 -3.235957
O -1.193514 -1.143746 -3.992738
O 5.632086 0.579669 0.262455
O -1.780121 -1.423783 0.923696
O 5.085580 1.807005 2.086596
N 0.516474 -0.161256 -1.409713
N 2.720577 1.177464 -0.095358
C 0.273332 0.892932 -0.372211
C 1.793291 -0.889087 -1.085119
C 1.442736 1.900204 -0.397483
C 2.962050 0.110251 -1.121307
C -0.606373 -1.143238 -1.569698
C -2.009997 -0.583888 -1.295061
C 3.872869 2.125379 -0.029049
C -0.542989 -1.530606 -3.053884
C -2.410999 -0.722870 0.159798
C 4.881766 1.518834 0.934193
C -3.607822 0.046156 0.613719
C -4.573978 0.539934 -0.275003
C -3.760932 0.257843 1.994365
C 6.629444 -0.176017 1.020904
C -5.675453 1.247042 0.213237
C -4.860353 0.969996 2.479076
C -5.817694 1.465471 1.588377
C 5.943020 -1.243564 1.846506
H 0.162836 0.465282 0.650721
H -0.663605 1.437618 -0.617635
H 1.958227 -1.678272 -1.854814
H 1.755569 -1.392501 -0.093117
H 1.275989 2.664363 0.392795
H 1.463211 2.424668 -1.377974
H 3.082390 0.515636 -2.149396
H 3.911949 -0.412689 -0.857279
H -0.460107 -2.071973 -0.942450
H -2.075585 0.474347 -1.634926
H -2.759845 -1.115465 -1.926296
H 3.549953 3.106464 0.391273
H 4.358321 2.332450 -1.008714
H 0.499496 -2.785981 -4.187651
H -4.481559 0.372528 -1.348189
H -3.012904 -0.146118 2.683598
H 7.209366 0.532191 1.639197
H 7.249049 -0.585069 0.202791
H -6.425895 1.628055 -0.478346
H -4.972470 1.134623 3.550144
H -6.677345 2.020135 1.964988
H 5.331576 -0.794170 2.645014
H 5.267059 -1.855591 1.235924
H 6.667453 -1.913171 2.323500


%chk=000218357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218357

0 1
O -0.474677 -1.675729 -4.489783
O -1.296386 0.481909 -4.236407
O 5.254110 0.190072 0.920478
O -1.238708 -1.739905 0.408825
O 4.980811 2.457959 1.400332
N 0.582118 -0.229971 -1.870320
N 2.963128 1.017644 -0.882715
C 0.615314 1.227522 -1.643840
C 1.497850 -0.977855 -0.980966
C 2.056379 1.748570 -1.800924
C 2.930169 -0.443032 -1.143817
C -0.715145 -0.850009 -2.218142
C -1.968193 -0.348691 -1.452914
C 4.332942 1.581297 -0.824455
C -0.887926 -0.585185 -3.716866
C -2.044153 -0.855208 -0.010464
C 4.880637 1.499620 0.601530
C -3.114123 -0.306888 0.890375
C -4.062923 0.657393 0.452799
C -3.177075 -0.781774 2.229577
C 5.710239 -0.049221 2.326922
C -5.052462 1.135533 1.338084
C -4.163234 -0.302243 3.112793
C -5.104229 0.658965 2.668789
C 4.513028 -0.261493 3.257218
H 0.257681 1.497337 -0.620649
H -0.029040 1.729570 -2.388382
H 1.470717 -2.047026 -1.255659
H 1.194868 -0.894334 0.086248
H 2.082569 2.824277 -1.546845
H 2.363128 1.629890 -2.870626
H 3.289618 -0.670996 -2.179476
H 3.598885 -0.945786 -0.424993
H -0.612036 -1.936384 -2.064198
H -2.013113 0.754837 -1.483815
H -2.882081 -0.693142 -1.981437
H 4.296785 2.652444 -1.083067
H 5.035366 1.073924 -1.526148
H -0.516340 -1.427396 -5.454046
H -4.038156 1.036177 -0.574255
H -2.439504 -1.526539 2.546747
H 6.319482 0.814779 2.646274
H 6.339462 -0.949778 2.243466
H -5.780677 1.877852 0.993953
H -4.203013 -0.672023 4.143072
H -5.871924 1.033496 3.355130
H 3.903697 0.654947 3.324785
H 3.875058 -1.087803 2.898691
H 4.870480 -0.515306 4.272620


