%chk=000180860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180860

0 1
S 5.254129 -0.680025 -0.997758
F 4.861429 -1.220770 1.587717
F 6.816292 -1.519263 0.876218
F 5.138105 1.521994 1.521227
F 6.797377 0.703804 2.525842
F -5.306497 1.940556 -1.466058
F -5.463598 -1.569640 1.638814
O 5.871638 0.566049 -1.519088
O -1.469173 -1.814262 -0.489928
O -4.205215 -1.286672 -1.525164
N -0.608694 0.355119 -0.465502
N -2.914197 -0.024018 -0.078565
C 3.528551 -0.400868 -0.810993
C 2.653433 -1.486999 -0.699740
C 1.678984 1.180982 -0.754460
C 0.785648 0.077846 -0.606534
C 3.042274 0.911191 -0.853706
C 1.276142 -1.233277 -0.590990
C 5.791781 -0.643180 0.809702
C 3.129493 -2.900669 -0.687611
C 1.199030 2.595238 -0.805348
C 6.230811 0.751877 1.296032
C -1.630342 -0.625535 -0.375339
C -5.323434 0.145413 0.043715
C -4.146249 -0.498545 -0.620162
C -5.894698 1.331727 -0.440960
C -5.971479 -0.450448 1.136414
C -7.039078 1.908982 0.113258
C -7.118751 0.088391 1.725908
C -7.648341 1.270690 1.199638
H 3.750571 1.740865 -0.980391
H 0.585195 -2.080866 -0.500129
H 3.427686 -3.212819 0.326710
H 2.340666 -3.604623 -1.000801
H 3.981893 -3.084832 -1.355129
H 0.723200 2.898880 0.137532
H 0.492171 2.759458 -1.630938
H 2.026588 3.303396 -0.970041
H -0.879290 1.342159 -0.504379
H 6.916928 1.276336 0.580954
H -2.945079 0.733161 0.609992
H -7.456104 2.830777 -0.294377
H -7.596468 -0.406046 2.573221
H -8.549428 1.702867 1.642696


%chk=000180860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180860

0 1
S 5.365300 -0.531229 -1.173628
F 5.102488 -1.294592 1.596434
F 7.231992 -1.245055 0.779789
F 4.923344 1.450569 1.558991
F 6.958457 0.902281 2.480164
F -4.265460 2.218250 -0.240780
F -6.525555 -1.925255 0.920713
O 5.828912 1.008521 -1.626063
O -1.485888 -2.053893 -0.298851
O -4.361908 -1.843290 -0.829654
N -0.648451 0.144798 -0.533071
N -2.906179 -0.167776 -0.049327
C 3.504112 -0.399007 -0.888674
C 2.718299 -1.561425 -0.709275
C 1.570695 1.085972 -0.859943
C 0.749942 -0.071288 -0.657558
C 2.958782 0.891603 -0.979374
C 1.321969 -1.368925 -0.595563
C 5.995499 -0.562945 0.796560
C 3.307558 -2.957844 -0.625884
C 0.975550 2.480726 -0.943973
C 6.198906 0.884356 1.274899
C -1.651524 -0.813355 -0.307506
C -5.333025 0.088139 0.271827
C -4.177099 -0.746301 -0.256096
C -5.402890 1.501545 0.227584
C -6.502295 -0.538639 0.782006
C -6.514160 2.262780 0.610727
C -7.646104 0.168820 1.190215
C -7.650223 1.576652 1.094809
H 3.638160 1.734972 -1.153399
H 0.664731 -2.231327 -0.467733
H 3.797896 -3.123347 0.351095
H 2.519483 -3.719789 -0.737724
H 4.064855 -3.137483 -1.411672
H 0.453793 2.768058 -0.008854
H 0.256950 2.582319 -1.782815
H 1.767101 3.228056 -1.111411
H -0.956797 1.108609 -0.679122
H 6.700308 1.497933 0.507221
H -2.890241 0.794879 0.298471
H -6.482995 3.351989 0.529181
H -8.505205 -0.385512 1.576322
H -8.535182 2.140852 1.402440


