%chk=000188711.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188711

0 1
Cl -3.286026 0.065395 -2.225431
S 0.189021 -3.072737 0.576046
F 6.377492 -2.569401 -0.028172
O -1.706160 0.906871 -0.008958
O 1.959057 1.273982 1.956993
N -1.971980 -1.343996 0.352974
N 1.027929 0.861856 -0.077722
N -2.532903 -3.523985 0.633459
N -3.685289 -2.809601 0.548613
C 0.343171 -0.343906 0.411536
C 0.867118 -1.605365 -0.294930
C -1.176393 -0.147724 0.212790
C 2.345619 -1.833670 -0.201254
C -1.491991 -2.682974 0.517912
C -3.407521 -1.500340 0.360079
C 2.999355 -2.448968 -1.285313
C 3.078473 -1.474844 0.943198
C 1.809744 1.634192 0.802985
C -4.374375 -0.418548 0.203113
C 4.369984 -2.704633 -1.237255
C 4.451175 -1.719369 1.011860
C 2.405690 2.854724 0.183419
C 5.066748 -2.331924 -0.083077
C -4.415419 0.369463 -0.958269
C -5.317823 -0.178367 1.216904
C 2.053305 4.111810 0.691882
C 3.330019 2.740690 -0.863485
C -5.354087 1.389152 -1.118562
C -6.261533 0.840475 1.065325
C -6.278566 1.622241 -0.095325
C 2.622416 5.262023 0.137635
C 3.897863 3.895247 -1.408372
C 3.542333 5.154003 -0.910557
H 0.523952 -0.423998 1.537195
H 0.532953 -1.609700 -1.362663
H 0.824623 1.167525 -1.025636
H 2.435740 -2.738006 -2.174052
H 2.584508 -0.983997 1.790970
H 4.877448 -3.184471 -2.073589
H 5.019897 -1.437314 1.898907
H -5.310985 -0.797147 2.117294
H 1.344386 4.189699 1.518078
H 3.614095 1.758760 -1.242519
H -5.364275 1.992133 -2.026876
H -6.989634 1.024148 1.855593
H -7.017338 2.416918 -0.206336
H 2.351067 6.242916 0.527213
H 4.620708 3.814347 -2.219510
H 3.986510 6.052813 -1.338809


%chk=000188711-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188711

0 1
Cl -3.164099 -0.411465 -2.448815
S 0.188295 -3.097423 1.134919
F 6.511800 -2.498167 -0.442206
O -1.678501 0.938211 0.113544
O 2.092077 1.251796 2.063705
N -1.967661 -1.338593 0.559537
N 1.027637 0.831334 0.040236
N -2.579737 -3.411714 1.270873
N -3.766965 -2.646441 0.987978
C 0.358407 -0.347918 0.576730
C 0.865905 -1.694175 -0.023281
C -1.166699 -0.167994 0.389108
C 2.363812 -1.866044 -0.118824
C -1.536073 -2.619279 1.001478
C -3.393661 -1.433432 0.543736
C 2.914672 -2.447138 -1.290275
C 3.228941 -1.507331 0.949134
C 1.848097 1.604109 0.865033
C -4.353166 -0.403859 0.105354
C 4.303763 -2.662345 -1.412030
C 4.619289 -1.716226 0.846292
C 2.410691 2.856721 0.262246
C 5.124293 -2.289113 -0.334081
C -4.375150 0.148500 -1.198751
C -5.373974 -0.000506 1.007073
C 2.847702 3.874620 1.148520
C 2.540061 3.047248 -1.138977
C -5.334348 1.093779 -1.597539
C -6.349510 0.943669 0.626407
C -6.324579 1.498794 -0.672642
C 3.382161 5.076451 0.641779
C 3.080860 4.249255 -1.643893
C 3.496247 5.268677 -0.755878
H 0.575933 -0.349532 1.669105
H 0.397236 -1.882626 -1.005878
H 0.634964 1.259663 -0.800931
H 2.253990 -2.738171 -2.115122
H 2.829055 -1.042929 1.856024
H 4.742523 -3.107705 -2.309072
H 5.299310 -1.438213 1.656103
H -5.385256 -0.444142 2.007403
H 2.759623 3.699395 2.225555
H 2.263652 2.251075 -1.840209
H -5.315493 1.496466 -2.613888
H -7.123426 1.243315 1.339825
H -7.074829 2.236177 -0.976336
H 3.710490 5.861278 1.331473
H 3.187490 4.386866 -2.725215
H 3.914253 6.201479 -1.150026


