%chk=000112592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112592

0 1
Cl -6.652122 0.224901 1.454677
Cl -6.453828 -2.425926 -0.143176
S 0.712377 1.458750 -1.222826
O -0.242178 0.161805 -0.794661
O 0.433088 1.595387 -2.628214
O 2.058634 1.142904 -0.792326
N -1.418793 0.276029 1.287857
N -1.270218 -1.732376 0.057709
N 3.084178 -1.492892 1.405261
C -1.132841 1.697052 1.554352
C -1.237842 2.623467 0.329858
C -2.738640 -0.165861 0.979107
C -0.456630 -0.536282 0.460780
C 0.084134 2.893342 -0.389191
C -2.642609 -1.399681 0.228175
C -0.831389 -2.589633 -1.073355
C -3.966071 0.347392 1.361117
C -3.783076 -2.104976 -0.124172
C 1.157323 3.464674 0.527590
C 0.772638 -0.870588 1.211491
C -5.113004 -0.384225 0.996057
C -1.224352 -2.071327 -2.452318
C -5.023100 -1.573935 0.277707
C 1.983580 -1.091526 0.649573
C 4.419741 -1.475826 0.894481
C 5.390325 -2.256528 1.553059
C 4.764696 -0.694463 -0.223998
C 6.700010 -2.260756 1.070058
C 6.078201 -0.721319 -0.691614
C 7.047873 -1.501820 -0.051725
H -1.841399 2.040674 2.344703
H -0.115453 1.751052 2.013340
H -1.658975 3.597833 0.660857
H -1.990198 2.221530 -0.385472
H -0.135325 3.668010 -1.181381
H 0.275247 -2.696256 -1.000464
H -1.268239 -3.600182 -0.895382
H -4.058762 1.270037 1.927954
H -3.733849 -3.036175 -0.685050
H 1.448711 2.761346 1.323406
H 2.079963 3.716223 -0.016880
H 0.812375 4.384629 1.018538
H 0.600678 -0.995340 2.281929
H -2.311018 -2.006300 -2.578604
H -0.833559 -2.714406 -3.247411
H -0.828525 -1.055527 -2.624517
H 2.166091 -0.961423 -0.433737
H 2.957795 -1.720457 2.388338
H 5.128541 -2.856975 2.419909
H 4.019692 -0.051970 -0.709484
H 7.455416 -2.864643 1.572642
H 6.349795 -0.121452 -1.560884
H 8.069295 -1.515190 -0.424084


%chk=000112592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112592

0 1
Cl -6.874185 0.561747 1.165123
Cl -6.728633 -2.321362 -0.407435
S 0.677599 1.692626 -1.472696
O -0.261572 0.044290 -1.047940
O -0.100665 2.316531 -2.751523
O 2.284219 1.404090 -1.597033
N -1.556855 0.321574 1.049994
N -1.460374 -1.670454 -0.060176
N 3.028547 -1.332761 1.249304
C -1.171556 1.590265 1.661217
C -0.994248 2.781770 0.672321
C -2.870562 -0.078909 0.778518
C -0.602771 -0.542086 0.339594
C 0.391714 2.991586 0.046818
C -2.807475 -1.329504 0.085849
C -0.957444 -2.854168 -0.771865
C -4.103740 0.504211 1.105352
C -3.975513 -2.015216 -0.282545
C 1.614023 2.935005 0.956093
C 0.629134 -0.882582 1.126268
C -5.281589 -0.195427 0.739984
C -1.096238 -2.774582 -2.308195
C -5.219283 -1.431894 0.062693
C 1.888069 -0.924699 0.581082
C 4.360627 -1.268527 0.751481
C 5.370698 -1.988273 1.444280
C 4.702885 -0.499312 -0.393877
C 6.705810 -1.951389 0.992242
C 6.041416 -0.485151 -0.840482
C 7.050398 -1.205026 -0.158564
H -1.956694 1.855515 2.391729
H -0.242924 1.431243 2.237942
H -1.195863 3.714831 1.240289
H -1.764206 2.731949 -0.120649
H 0.382300 3.903441 -0.578390
H 0.103810 -2.971601 -0.491355
H -1.500183 -3.736550 -0.378291
H -4.184764 1.463495 1.622168
H -3.949654 -2.967405 -0.817029
H 1.710246 1.968811 1.478679
H 2.539297 3.094348 0.379066
H 1.533815 3.737032 1.715572
H 0.443878 -1.183389 2.166687
H -2.150533 -2.663697 -2.617038
H -0.698292 -3.697609 -2.768215
H -0.535015 -1.907050 -2.689972
H 2.035581 -0.619913 -0.458936
H 2.917754 -1.730401 2.185073
H 5.108109 -2.584799 2.327890
H 3.952953 0.103145 -0.918842
H 7.474340 -2.512198 1.535792
H 6.296116 0.109146 -1.725064
H 8.085900 -1.179913 -0.513388


