%chk=000193882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193882

0 1
O 3.287470 0.204893 -0.616715
O 4.070501 -1.492022 2.041686
O 4.337515 -2.866470 -0.038010
O 2.007907 -1.916078 -3.230608
O 0.203673 -0.989138 0.547697
O -1.800708 3.069753 1.372443
O -4.056467 0.756349 -2.995310
O -4.612860 -1.413920 -2.971328
N -0.816257 1.001464 0.977074
N 0.505490 2.977741 1.384459
N -4.153058 -1.591412 -0.142923
C 2.931727 0.155906 0.790580
C 2.917949 -1.332295 1.204532
C 3.115639 -2.142275 -0.110189
C 3.137293 -1.092521 -1.243394
C 1.633238 0.892483 0.981322
C 1.856900 -1.064195 -2.092497
C 0.365392 0.190108 0.808364
C 1.669093 2.232777 1.243037
C -2.158539 0.352948 0.811748
C -0.801886 2.390426 1.246240
C -2.488116 0.181063 -0.677238
C -3.932622 -0.317535 -0.857428
C 0.589317 4.432282 1.667589
C -4.237033 -0.443832 -2.358832
H 3.781362 0.686527 1.288095
H 2.016272 -1.643046 1.771445
H 2.354349 -2.938048 -0.250089
H 4.037937 -1.185827 -1.892442
H 1.715149 -0.059800 -2.541078
H 0.951571 -1.343660 -1.521966
H 2.620602 2.776633 1.351659
H 4.239690 -2.455178 2.192984
H 5.094252 -2.247243 0.130412
H -2.929648 0.972969 1.325705
H -2.130470 -0.640085 1.323430
H -1.764889 -0.523959 -1.139194
H -2.368343 1.144203 -1.220053
H 2.053742 -2.854543 -2.954927
H -4.649745 0.445364 -0.435004
H -0.431919 4.865242 1.745049
H 1.115945 4.962243 0.855880
H 1.104063 4.617222 2.625375
H -3.466363 -2.294740 -0.408595
H -5.074950 -1.975408 -0.343936
H -4.254565 0.711733 -3.970951


%chk=000193882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193882

0 1
O 2.839347 0.073116 -0.996379
O 4.145079 -1.514761 1.717287
O 3.685640 -3.409146 -0.111555
O 4.057329 -2.849750 -3.023888
O -0.008502 -0.971711 0.411312
O -1.939509 3.158896 1.523638
O -5.104402 1.253725 -2.399597
O -4.841142 -0.989849 -2.948267
N -0.963084 1.085729 0.997350
N 0.401454 3.001963 1.416601
N -4.122780 -1.592099 -0.205264
C 2.731011 0.144257 0.501417
C 2.846827 -1.322426 1.026816
C 2.915084 -2.180689 -0.265608
C 3.527632 -1.201872 -1.296909
C 1.474641 0.898374 0.840742
C 3.289017 -1.628921 -2.747850
C 0.165919 0.247530 0.721128
C 1.527731 2.232848 1.172184
C -2.314977 0.470126 0.891566
C -0.909000 2.457894 1.322343
C -2.834343 0.503865 -0.561253
C -4.215411 -0.203991 -0.663348
C 0.536863 4.435428 1.760432
C -4.739732 -0.069234 -2.109567
H 3.614932 0.694832 0.885793
H 2.006751 -1.621316 1.672888
H 1.896136 -2.465923 -0.568811
H 4.620553 -1.106212 -1.110976
H 3.658422 -0.868728 -3.455326
H 2.202232 -1.781188 -2.917880
H 2.483569 2.761203 1.243191
H 4.002907 -1.616089 2.688315
H 4.418506 -3.193118 0.530723
H -2.987737 1.038298 1.554139
H -2.245088 -0.574005 1.231660
H -2.109748 -0.011491 -1.220498
H -2.940026 1.547470 -0.904836
H 3.986015 -3.451696 -2.231540
H -4.927616 0.342005 -0.015070
H -0.475018 4.845848 1.890382
H 1.049400 4.977617 0.947342
H 1.102539 4.552771 2.700742
H -3.469418 -2.155057 -0.762405
H -5.028967 -2.062918 -0.116042
H -5.423437 1.315497 -3.341023


