%chk=000245153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245153

0 1
Cl -3.492988 0.602822 -3.196666
Cl -5.089971 -2.201553 -0.536722
Cl -5.540003 1.698310 -1.117895
Cl -5.008825 -3.145955 2.423832
S 5.246570 0.374418 0.078532
O 3.088471 0.611407 -2.446693
O 3.664005 -2.119260 1.301538
N 2.530766 2.110709 -0.771359
N 2.329398 -1.441269 -0.479010
N 1.191245 1.889761 -0.972106
N 1.179299 -1.774735 0.181163
C 4.916793 1.572969 -1.260784
C 4.773316 -1.231550 -0.655398
C 5.353665 2.930599 -0.761671
C 5.921855 -2.200313 -0.477882
C 3.441257 1.392153 -1.581564
C 3.569296 -1.657194 0.192173
C -1.116236 2.256741 -0.447623
C -1.203092 -1.900528 0.344236
C 0.321870 2.485754 -0.201538
C 0.026049 -1.496990 -0.367171
C -1.569788 1.605139 -1.606698
C -2.427511 -1.845950 -0.346173
C -2.044154 2.715076 0.507521
C -1.172678 -2.339905 1.681300
C -2.940524 1.420953 -1.796084
C -3.596591 -2.240328 0.305729
C -3.413114 2.537239 0.305426
C -2.347652 -2.723628 2.328845
C -3.861539 1.894315 -0.853495
C -3.560821 -2.673120 1.636608
H 5.500789 1.299387 -2.179880
H 4.523744 -1.122478 -1.741187
H 5.039342 3.730479 -1.449499
H 6.452888 2.992129 -0.692334
H 4.970881 3.181592 0.237325
H 6.844114 -1.842416 -0.954108
H 5.685774 -3.181893 -0.916247
H 6.147729 -2.383986 0.586802
H 2.872608 2.688163 0.007629
H 2.299339 -0.977550 -1.409412
H 0.552839 3.158435 0.638910
H -0.127308 -0.986215 -1.331058
H -0.856021 1.251308 -2.358164
H -2.473319 -1.505174 -1.382834
H -1.698883 3.210652 1.415210
H -0.216091 -2.387877 2.212723
H -4.133388 2.893882 1.044442
H -2.321906 -3.064926 3.364909


%chk=000245153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245153

0 1
Cl -4.280954 0.749396 -1.462846
Cl -4.940582 -2.897973 -0.768945
Cl -5.849018 3.503873 -0.591947
Cl -4.933950 -4.736381 1.960511
S 5.012008 0.488609 0.343159
O 2.543123 0.173930 -1.949527
O 3.948793 -2.676082 1.647542
N 2.287208 2.339359 -1.101246
N 2.523834 -1.922642 -0.073406
N 0.903006 2.278323 -1.124116
N 1.389965 -2.482798 0.480053
C 4.561577 1.382246 -1.299478
C 4.908518 -1.370433 -0.202732
C 5.155284 2.800361 -1.241578
C 6.254182 -2.053041 0.066910
C 3.051322 1.246003 -1.496659
C 3.761232 -2.056902 0.568508
C -1.215990 3.371965 -0.714623
C -0.992538 -2.854675 0.377124
C 0.250000 3.355031 -0.738530
C 0.247522 -2.263492 -0.141744
C -1.966713 2.216403 -1.067068
C -2.212700 -2.631049 -0.315108
C -1.902631 4.554226 -0.327839
C -1.002829 -3.653774 1.556916
C -3.368096 2.249635 -1.030474
C -3.411008 -3.199364 0.157800
C -3.310359 4.584627 -0.296853
C -2.202619 -4.213513 2.025120
C -4.046199 3.433084 -0.647322
C -3.411956 -3.989773 1.325848
H 5.039271 0.800439 -2.104748
H 4.678364 -1.323862 -1.281471
H 4.875528 3.383079 -2.139149
H 6.255319 2.736908 -1.205267
H 4.841271 3.358102 -0.338218
H 7.073673 -1.521196 -0.444668
H 6.222415 -3.097963 -0.293828
H 6.458745 -2.086131 1.149577
H 2.770060 3.178133 -0.746576
H 2.462692 -1.311814 -0.916540
H 0.763928 4.283042 -0.414367
H 0.174033 -1.647005 -1.058512
H -1.436673 1.306343 -1.361073
H -2.234411 -2.017944 -1.222488
H -1.339305 5.452421 -0.050266
H -0.059991 -3.821583 2.085313
H -3.845163 5.491592 -0.001456
H -2.217687 -4.828139 2.929886


