%chk=000194052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194052

0 1
Cl -0.083818 -0.020448 -2.821032
Cl 0.211329 -2.626671 1.844324
S -6.114215 0.348607 1.018480
F -6.654263 0.742319 -1.576565
F -7.746750 2.034928 -0.294377
F -5.686007 2.391176 -0.661419
O -0.991696 -1.871955 -0.733310
O -7.101367 -0.696360 1.037099
O -5.955712 1.258919 2.120189
O 4.762075 -0.222224 -2.059088
O 3.701574 0.802713 2.355389
O 7.908233 1.695131 0.744289
N 4.147987 0.247490 0.132752
N 6.377707 0.704119 -0.697930
N 5.800218 1.267314 1.557708
C 2.802602 -0.272988 -0.075141
C -4.598139 -0.260405 0.518866
C 5.075535 0.202521 -0.972633
C 0.236373 -1.262153 -0.464848
C 2.100073 0.081544 -1.240369
C 2.236562 -1.116083 0.898074
C -2.142962 -1.261979 -0.268483
C 4.476461 0.774611 1.429463
C -3.421223 0.425134 0.853635
C -4.532220 -1.467566 -0.202030
C 0.811112 -0.419500 -1.428086
C 0.945316 -1.604592 0.696560
C -2.177722 -0.064975 0.460541
C -3.308240 -1.980451 -0.606598
C 6.800602 1.257727 0.543272
C -6.572961 1.417903 -0.424876
C 7.384914 0.621490 -1.795564
H 2.556733 0.719256 -2.005194
H 2.783041 -1.373866 1.811781
H -3.473605 1.354987 1.436264
H -5.454717 -2.013344 -0.442146
H -1.264822 0.467866 0.718876
H -3.228285 -2.910974 -1.168551
H 6.063680 1.669402 2.475325
H 7.875485 -0.367842 -1.791695
H 8.158158 1.401498 -1.660953
H 6.894953 0.768521 -2.776302


%chk=000194052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194052

0 1
Cl -0.081734 0.136251 -2.914577
Cl 0.323638 -2.817215 1.772337
S -6.224747 0.324022 1.148256
F -6.941930 0.747099 -1.595165
F -8.045005 2.131216 -0.165525
F -5.859129 2.521144 -0.660308
O -0.957899 -1.875958 -0.815035
O -7.298374 -0.895077 1.189756
O -5.963144 1.340402 2.389336
O 4.942489 -0.482654 -1.989971
O 3.591091 1.134277 2.231625
O 7.962815 1.800367 0.773090
N 4.208800 0.293464 0.109549
N 6.471757 0.644809 -0.639753
N 5.767150 1.448242 1.467260
C 2.878425 -0.243186 -0.118388
C -4.580854 -0.315105 0.518741
C 5.193464 0.112259 -0.915968
C 0.281189 -1.270432 -0.540632
C 2.150185 0.160445 -1.257898
C 2.333978 -1.155144 0.810901
C -2.150820 -1.296107 -0.330628
C 4.454640 0.970697 1.339439
C -3.422219 0.398685 0.865713
C -4.573360 -1.510515 -0.224227
C 0.862388 -0.363642 -1.458024
C 1.039835 -1.654750 0.590132
C -2.179248 -0.103484 0.429891
C -3.330317 -2.005755 -0.657262
C 6.822843 1.331164 0.545197
C -6.825859 1.534125 -0.445188
C 7.508615 0.459122 -1.684116
H 2.580120 0.853645 -1.983247
H 2.896466 -1.459962 1.695609
H -3.486419 1.306397 1.474060
H -5.504949 -2.043148 -0.438886
H -1.255456 0.424813 0.682420
H -3.254002 -2.927755 -1.239186
H 5.982250 1.943207 2.336685
H 7.664223 -0.615250 -1.870425
H 8.434802 0.923143 -1.317054
H 7.186303 0.936947 -2.622834


