%chk=000299867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299867

0 1
O -4.892044 1.040946 -1.776483
O -6.608810 1.269120 2.490772
O 6.767659 2.323054 -1.076722
O -7.855762 2.403279 1.014847
O -6.253866 -2.996551 0.350755
O -7.282005 -2.179066 -1.465513
N 1.242850 -0.001248 -0.062162
N -5.177029 0.270902 0.343625
N 7.440305 -1.242245 0.785792
N 8.225817 0.901576 -0.024380
N 9.679043 -0.495781 1.229709
C 3.560431 -0.465493 -0.670796
C 2.174459 -0.211723 -1.203758
C 5.864074 0.234315 -0.349091
C 6.130605 -0.983427 0.312063
C -6.637155 0.380218 0.265342
C 4.570455 0.481012 -0.836272
C -0.122064 0.217813 -0.275075
C 3.839349 -1.676160 -0.000095
C 5.108991 -1.943648 0.492222
C -2.906044 0.500006 -0.539172
C -7.336120 -0.934572 0.655232
C -0.754325 -0.093542 -1.503142
C -0.901416 0.698579 0.812458
C -4.364633 0.649814 -0.750896
C -2.130144 0.054284 -1.624632
C -2.274865 0.832240 0.671527
C 6.937265 1.259062 -0.530657
C 8.435973 -0.234648 0.610983
C -7.121543 1.475396 1.229213
C -6.992089 -2.035615 -0.305670
H 2.162882 0.660822 -1.899863
H 1.824188 -1.091129 -1.797981
H -6.932852 0.689943 -0.790219
H 4.381982 1.432940 -1.347416
H 1.668376 0.432937 0.756071
H 3.037823 -2.407816 0.135033
H 5.311913 -2.880036 1.006505
H -8.442243 -0.795958 0.656735
H -7.064748 -1.229585 1.697590
H -4.791588 -0.102785 1.207328
H -0.177227 -0.446156 -2.352578
H -0.424978 0.960733 1.753008
H 7.612631 -2.066152 1.357860
H -2.623823 -0.171565 -2.575596
H -2.863453 1.215868 1.507500
H 10.058645 -1.429227 1.134181
H 10.385243 0.226272 1.067270
H -6.884441 1.974673 3.136900
H -5.995892 -3.754676 -0.240149


%chk=000299867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299867

0 1
O -4.897970 0.199328 -1.965499
O -6.353484 2.551915 0.380582
O 6.997301 2.655251 0.046717
O -8.535106 1.762949 0.425469
O -7.113450 -3.123252 1.844697
O -7.117454 -2.724107 -0.443972
N 1.292592 0.107819 -0.005409
N -5.239384 0.098898 0.332079
N 7.544928 -1.399224 0.360187
N 8.425265 0.846038 0.459907
N 9.817206 -0.978092 0.870351
C 3.671678 0.019458 -0.638285
C 2.283601 0.520509 -1.011429
C 6.033369 0.443071 -0.090104
C 6.248137 -0.957521 0.030277
C -6.687748 0.137681 0.180110
C 4.739721 0.911651 -0.423125
C -0.086244 0.137203 -0.196901
C 3.910628 -1.379402 -0.509082
C 5.183977 -1.871861 -0.177751
C -2.935335 0.131687 -0.536094
C -7.411261 -0.842831 1.133878
C -0.676744 0.533323 -1.436580
C -0.953646 -0.262308 0.867814
C -4.405483 0.147623 -0.794034
C -2.071607 0.516614 -1.593898
C -2.345801 -0.261533 0.698307
C 7.166443 1.404081 0.138593
C 8.572631 -0.471972 0.555809
C -7.307315 1.536773 0.343627
C -7.193228 -2.285286 0.721418
H 2.303087 1.624258 -1.135513
H 1.985947 0.092669 -1.989952
H -6.887028 -0.161986 -0.870664
H 4.609076 1.996913 -0.504882
H 1.641354 -0.042363 0.941977
H 3.083648 -2.079519 -0.674669
H 5.354292 -2.951529 -0.088142
H -8.497542 -0.633739 1.090709
H -7.094048 -0.706492 2.181974
H -4.844356 0.303481 1.250538
H -0.049014 0.865159 -2.268754
H -0.519476 -0.588868 1.821184
H 7.715832 -2.402058 0.449387
H -2.529271 0.807501 -2.545374
H -2.967970 -0.615948 1.529441
H 10.024194 -1.969734 0.952866
H 10.555615 -0.291709 1.009502
H -6.815723 3.433043 0.425027
H -7.015033 -4.066566 1.539887


