%chk=000180784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180784

0 1
S 2.904687 0.433731 -0.103565
F -1.144896 2.717428 -1.147187
F -1.707128 2.640515 0.872436
F -1.232097 -0.193506 -1.202892
F -2.998971 0.943504 -1.135711
F 0.851504 2.748314 1.004143
F 0.478870 0.696384 1.277130
F -3.208601 0.565468 1.650995
F -1.376784 -0.464278 1.676145
F 0.823882 0.512424 -1.712686
F 1.787762 2.374627 -1.487978
F -3.421445 -2.193989 1.733992
F -2.330297 -2.410979 -0.046177
F -4.265413 -0.879780 -1.450876
F -4.854672 -2.728936 -0.638407
F -6.893984 -1.076894 -0.208977
F -5.941910 -1.155417 1.682657
F -5.682578 0.538248 0.430558
O 7.954644 -1.531950 0.994765
O 3.713484 1.477180 0.461408
O 2.349700 -0.641019 0.662176
N 5.796983 -0.562222 -0.586311
N 3.624102 -0.166073 -1.534340
C -1.091300 1.898302 -0.073417
C -1.933779 0.609536 -0.374226
C 0.401658 1.664035 0.334219
C -2.428017 -0.209506 0.867504
C 1.406182 1.295210 -0.782393
C -3.177328 -1.554932 0.568010
C 5.077008 0.136145 -1.690421
C -4.503341 -1.478136 -0.263223
C 6.645084 -1.698920 -1.064541
C 6.586094 0.369529 0.281289
C 7.202461 -2.437624 0.165632
C 7.152443 -0.428217 1.465663
C -5.741704 -0.797476 0.410756
H 5.213610 1.246442 -1.658067
H 5.383900 -0.201469 -2.709268
H 3.422532 -1.158924 -1.744785
H 7.486200 -1.362668 -1.709312
H 6.016278 -2.389101 -1.664781
H 5.897869 1.166977 0.659689
H 7.411487 0.869795 -0.267656
H 6.397103 -2.896790 0.766645
H 7.957250 -3.194819 -0.110123
H 7.878300 0.159566 2.054823
H 6.351671 -0.816632 2.120185


%chk=000180784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180784

0 1
S 2.887265 -0.481265 0.158028
F -0.967449 1.663861 -1.913351
F -1.626994 2.646232 0.024979
F -1.767767 -0.935498 -0.441216
F -3.180341 0.496084 -1.504933
F 0.820784 2.275965 0.565718
F 0.087458 0.208565 1.198532
F -4.133557 1.573940 0.708698
F -2.400784 0.835664 1.999147
F 0.724514 -0.601883 -1.638208
F 1.859653 1.378413 -1.715116
F -4.744512 -0.345468 2.556596
F -3.171964 -1.775793 1.734061
F -4.499854 -1.917763 -0.716974
F -5.687448 -2.499934 1.148092
F -7.316030 -1.392297 -0.656527
F -6.993861 0.119469 1.002770
F -5.981582 0.400733 -1.012012
O 8.910174 -1.196675 0.518804
O 3.400871 0.621243 1.236278
O 2.423215 -1.976177 0.568191
N 6.423936 -0.318469 -0.631614
N 4.046132 -0.587176 -1.268401
C -1.169458 1.432672 -0.529857
C -2.331627 0.358114 -0.384749
C 0.255896 1.076756 0.091162
C -3.231802 0.502060 0.906014
C 1.286321 0.422578 -0.875677
C -4.074661 -0.751655 1.376709
C 5.257804 0.313174 -1.212159
C -5.153233 -1.407895 0.428291
C 7.619470 -0.508907 -1.486561
C 6.766095 0.029086 0.770595
C 8.534540 -1.573919 -0.851802
C 7.702389 -1.044004 1.350773
C -6.377016 -0.544766 -0.060637
H 4.945822 1.229658 -0.673358
H 5.451117 0.579264 -2.267776
H 4.299183 -1.593396 -1.339498
H 8.195076 0.439946 -1.596604
H 7.305292 -0.842325 -2.493481
H 5.839608 0.091776 1.369224
H 7.275922 1.019689 0.816655
H 8.012859 -2.555605 -0.844346
H 9.483558 -1.661313 -1.405662
H 8.067411 -0.754657 2.349231
H 7.166077 -2.014998 1.415472


