%chk=000188088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188088

0 1
Cl 2.973166 0.010221 3.455244
F 6.299440 3.050120 0.582808
F 6.001158 2.270201 -1.357736
F 4.947020 3.995701 -0.736252
O -4.832300 0.465816 -1.488230
O -3.110114 -2.303703 -1.721408
O 1.066866 -0.435045 1.364842
O -5.971463 -1.422752 -0.965974
N 2.111291 0.822822 -0.355178
C -5.161160 1.137584 0.825889
C -5.824342 2.164502 1.751647
C -5.667279 1.281057 -0.604695
C -4.013652 -1.480895 -2.505350
C -5.069189 -0.888236 -1.552456
C -5.332609 2.018203 3.189164
C -4.657581 -2.466163 -3.460640
C -2.088070 -1.698066 -1.013588
C -1.205376 -2.646322 -0.449597
C -1.918953 -0.319236 -0.840989
C 0.030902 -0.810027 0.463633
C -0.124568 -2.194565 0.296802
C -0.831643 0.135928 -0.088766
C 2.081805 0.349716 0.923265
C 4.209189 1.921959 0.173037
C 3.094318 0.637940 1.881465
C 4.165395 1.432589 1.492811
C 3.165329 1.594621 -0.717152
C 5.332905 2.780437 -0.308344
H -5.359341 0.107722 1.191345
H -4.058705 1.250006 0.849891
H -6.925899 2.043622 1.721511
H -5.618394 3.191357 1.389967
H -6.719008 0.967404 -0.721345
H -5.507670 2.287606 -1.030616
H -3.443852 -0.677240 -3.026033
H -5.555221 1.023268 3.593561
H -5.810011 2.752657 3.848032
H -4.248899 2.165113 3.264994
H -5.240210 -3.229846 -2.918110
H -5.333379 -1.968178 -4.166598
H -3.893776 -3.006646 -4.038930
H -1.385854 -3.708787 -0.609941
H -2.619755 0.401284 -1.267616
H 0.584727 -2.885937 0.751621
H -0.657610 1.201966 0.055586
H 4.955906 1.665091 2.214319
H 3.154665 1.953630 -1.758288


%chk=000188088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188088

0 1
Cl 4.232238 -1.624276 1.738368
F 5.805981 3.512692 0.950821
F 3.966755 4.663041 0.258491
F 4.237613 4.154955 2.450682
O -5.021437 0.227962 -1.593486
O -3.324102 -2.868119 -1.735971
O 1.609984 -1.209637 0.413838
O -5.511026 -1.559606 -0.164821
N 1.715217 1.161011 0.123640
C -4.697361 1.661751 0.426336
C -5.345982 2.701488 1.371948
C -5.684857 1.182831 -0.644918
C -4.328107 -1.957506 -2.315769
C -5.004992 -1.116171 -1.215282
C -4.362281 3.200017 2.452230
C -5.359271 -2.861839 -2.999637
C -2.133367 -2.321250 -1.222181
C -1.221433 -3.271000 -0.695898
C -1.806780 -0.944360 -1.215145
C 0.327194 -1.465712 -0.167689
C 0.006334 -2.843933 -0.168845
C -0.568864 -0.508182 -0.686230
C 2.249901 -0.008455 0.554820
C 3.681279 2.349449 0.914085
C 3.534536 -0.055099 1.185719
C 4.251505 1.128831 1.367787
C 2.413806 2.315587 0.299073
C 4.404421 3.640652 1.130849
H -4.347432 0.792888 1.014735
H -3.810930 2.108757 -0.064933
H -6.233193 2.250995 1.860933
H -5.715043 3.563797 0.780041
H -6.553839 0.674691 -0.188730
H -6.020196 2.006295 -1.296587
H -3.847494 -1.275999 -3.042937
H -4.000544 2.360761 3.074622
H -4.842418 3.936226 3.121931
H -3.479509 3.684184 1.994333
H -5.823746 -3.529932 -2.255743
H -6.146963 -2.255392 -3.480111
H -4.861301 -3.472908 -3.770467
H -1.495453 -4.329490 -0.707780
H -2.497567 -0.191957 -1.606399
H 0.724488 -3.557326 0.244872
H -0.306508 0.549028 -0.678999
H 5.237323 1.109882 1.840436
H 1.941617 3.228877 -0.074430


