%chk=000278508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278508

0 1
Cl 1.115886 -4.060995 1.495491
Cl -6.744634 3.069662 -1.783514
S -2.410409 1.565602 0.929523
F -2.761443 1.234198 2.434927
O -1.287032 0.718239 0.655240
O -2.295305 2.992740 0.913236
N 3.626666 0.126624 -0.073201
N 4.250169 2.398771 0.777786
N 5.707751 1.159610 -0.750563
N 5.065356 -0.871326 -1.750423
N 6.202728 3.393527 -0.104350
C 3.243243 1.334095 0.836933
C -1.808421 -3.264265 -0.128221
C -0.606986 -3.664020 -1.002741
C -2.389605 -1.904096 -0.532343
C 2.611287 -0.863737 -0.348065
C 0.551945 -2.730952 -0.800719
C -3.454787 -1.432897 0.474261
C 1.899151 1.893155 0.362865
C 3.172267 0.800415 2.274776
C 4.806271 0.172107 -0.835104
C 2.396099 -1.891839 0.582221
C 1.842765 -0.793699 -1.524851
C 1.369136 -2.803691 0.336559
C 0.824532 -1.720072 -1.739462
C -4.226457 -0.263404 -0.067317
C 5.328924 2.299591 0.023866
C -3.838359 1.071985 0.102237
C -5.407552 -0.547100 -0.793910
C -4.625940 2.111440 -0.429002
C -6.185758 0.471355 -1.326325
C -5.783248 1.803700 -1.133383
H -1.495658 -3.238638 0.936487
H -2.585002 -4.049651 -0.197759
H -0.308583 -4.707610 -0.763487
H -0.908249 -3.688667 -2.069708
H -2.815044 -1.957848 -1.550928
H -1.572372 -1.144586 -0.570447
H -4.146401 -2.270557 0.711051
H -2.962412 -1.209586 1.443806
H 1.066376 1.187112 0.500129
H 1.922997 2.190147 -0.690816
H 1.649743 2.800320 0.934216
H 4.084199 0.266267 2.560773
H 2.315057 0.136725 2.425560
H 3.064245 1.643481 2.973779
H 3.006275 -1.964218 1.483918
H 2.038500 -0.006866 -2.254950
H 0.218803 -1.649482 -2.643432
H -5.708009 -1.586515 -0.938213
H 6.001628 -0.870579 -2.149633
H 4.729717 -1.796079 -1.515623
H -4.329347 3.163158 -0.290245
H -7.097674 0.248960 -1.886041
H 6.150447 4.095235 0.622457
H 7.138218 3.186752 -0.427421


%chk=000278508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278508

0 1
Cl 1.182050 -4.033138 1.597743
Cl -6.475694 3.534453 -1.617743
S -2.559917 1.227293 1.542924
F -3.285271 0.222132 2.975184
O -1.194398 0.481194 1.112196
O -2.529550 2.778334 1.975235
N 3.580438 0.263562 -0.224384
N 4.157982 2.631963 0.253026
N 5.863076 1.002449 -0.430412
N 5.307635 -1.192588 -0.968519
N 6.337640 3.281908 -0.303145
C 3.215845 1.551310 0.563728
C -1.828588 -3.369237 -0.194474
C -0.568904 -3.753998 -1.027248
C -2.477963 -2.040913 -0.640615
C 2.596270 -0.763651 -0.444393
C 0.570358 -2.766520 -0.843934
C -3.635386 -1.624830 0.311351
C 1.798480 2.009779 0.165403
C 3.279550 1.225425 2.082608
C 4.919799 0.052996 -0.520370
C 2.387520 -1.775672 0.528790
C 1.821511 -0.776449 -1.630313
C 1.393785 -2.745343 0.307900
C 0.828978 -1.759639 -1.813223
C -4.316402 -0.341040 -0.129506
C 5.384500 2.293885 -0.134301
C -3.969531 0.958086 0.304045
C -5.383394 -0.384639 -1.070001
C -4.590964 2.152608 -0.104696
C -6.038867 0.776593 -1.528620
C -5.634102 2.035246 -1.039291
H -1.544132 -3.300655 0.872908
H -2.566406 -4.193061 -0.274795
H -0.244803 -4.765696 -0.719628
H -0.841946 -3.805816 -2.098520
H -2.862410 -2.137750 -1.676760
H -1.718627 -1.238431 -0.642837
H -4.390509 -2.433824 0.335519
H -3.237907 -1.525997 1.337087
H 1.021904 1.276902 0.445662
H 1.751060 2.211399 -0.918485
H 1.594561 2.955308 0.694420
H 4.282469 0.850423 2.355084
H 2.514070 0.480514 2.364838
H 3.090283 2.150992 2.652496
H 2.988421 -1.791114 1.442424
H 1.997542 -0.007267 -2.388193
H 0.224145 -1.753085 -2.727435
H -5.707949 -1.363843 -1.439256
H 6.280891 -1.294856 -1.244541
H 4.667828 -1.981409 -1.001504
H -4.278183 3.120978 0.297588
H -6.858772 0.705806 -2.248970
H 6.094058 4.245479 -0.093687
H 7.253620 3.025442 -0.658460


