%chk=000180806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180806

0 1
Br 0.974311 -3.130995 -0.075512
Cl 8.177499 1.196465 -2.114350
S 5.473659 -0.020077 1.029721
F 5.526012 1.550515 -1.064139
F 5.726231 -0.486666 -1.541321
F -5.396802 -1.572584 1.724043
F -4.987038 1.670351 -1.637328
F 7.978945 1.348247 0.450468
O -1.143481 1.590176 1.004292
O -3.937983 1.488561 1.626850
N -0.431699 -0.569122 0.484104
N -2.723008 0.019231 0.302740
C 0.964756 -0.367154 0.611916
C 3.743829 -0.146981 0.807585
C 1.802591 -1.485639 0.379508
C 1.552172 0.869671 0.943299
C 3.187028 -1.385418 0.473169
C 2.937899 0.975628 1.036287
C 6.097454 0.419569 -0.617342
C -5.128447 0.084721 0.086059
C -1.402066 0.468144 0.647534
C -3.923213 0.646658 0.772829
C -5.856471 -0.988368 0.622442
C -5.646070 0.658060 -1.085665
C 7.629529 0.514460 -0.564183
C -7.028874 -1.478651 0.043188
C -6.814818 0.203410 -1.702327
C -7.503257 -0.867182 -1.122712
H 0.922334 1.750285 1.130789
H 3.822239 -2.257641 0.287681
H 3.388870 1.940916 1.289926
H -0.763706 -1.528963 0.315111
H -2.820981 -0.770225 -0.343738
H 8.137796 -0.467892 -0.391084
H -7.569394 -2.313212 0.492158
H -7.188086 0.677380 -2.611613
H -8.423559 -1.231780 -1.586787


%chk=000180806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180806

0 1
Br 0.910454 -3.116912 0.679160
Cl 8.147195 0.540135 -2.430895
S 5.596520 0.081684 1.281393
F 5.583254 1.463531 -1.084256
F 5.495717 -0.795327 -1.319336
F -4.198979 -2.095283 0.161659
F -6.175174 2.275301 -0.629666
F 8.249627 1.039877 0.207887
O -1.166712 1.951591 0.731774
O -4.052559 1.904896 1.115243
N -0.454653 -0.300286 0.644980
N -2.690009 0.200900 0.231876
C 0.941530 -0.164164 0.787798
C 3.769577 -0.013346 1.051302
C 1.752442 -1.338005 0.821321
C 1.596068 1.095821 0.902432
C 3.148668 -1.278652 0.950209
C 2.995310 1.166543 1.030430
C 6.084095 0.252222 -0.535659
C -5.121080 0.138037 -0.157978
C -1.407167 0.734916 0.564843
C -3.927103 0.846199 0.460612
C -5.278948 -1.266160 -0.251672
C -6.239196 0.883114 -0.623098
C 7.613592 0.140049 -0.701476
C -6.426811 -1.915261 -0.722991
C -7.415700 0.291435 -1.113996
C -7.508360 -1.115935 -1.155059
H 0.986754 2.001193 0.896329
H 3.745032 -2.193559 0.964282
H 3.483003 2.141587 1.114549
H -0.792420 -1.269278 0.635665
H -2.730416 -0.734335 -0.183314
H 7.954886 -0.883653 -0.488132
H -6.463710 -3.007056 -0.746587
H -8.230782 0.933360 -1.457477
H -8.419746 -1.591283 -1.528553


