%chk=000086829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000086829

0 1
Cl 7.261398 -1.970386 -0.780036
Cl 5.851058 -4.586856 -1.555932
S 0.163925 2.724023 0.146377
O -3.973854 -0.512554 -0.138895
O 0.086208 2.310491 1.590756
O -0.706260 3.885770 -0.129869
O -0.055533 1.591346 -0.783399
N 2.542875 -0.375613 0.860367
N 1.483302 -2.292218 0.230965
N -4.102242 1.723051 0.342440
C 1.288896 -1.027916 0.823251
C 3.517719 -1.225958 0.281202
C 2.733140 1.072874 1.136449
C 2.856796 -2.447744 -0.091668
C 2.732905 1.910760 -0.159284
C 0.445992 -3.336960 0.065781
C 4.889159 -1.054348 0.073497
C 3.562665 -3.508084 -0.664953
C 1.892570 3.178429 -0.053027
C 0.117737 -0.460620 1.326996
C 0.258702 -4.137307 1.347604
C 5.578934 -2.120489 -0.500776
C 4.930226 -3.321531 -0.860437
C -1.162073 -0.569716 0.820912
C -3.327842 0.572608 0.492221
C -2.127822 0.404108 1.130579
C -5.286949 1.379398 -0.363426
C -3.688244 3.098982 0.730619
C -5.180360 -0.009710 -0.667408
C -6.406386 2.098559 -0.772951
C -6.141461 -0.713260 -1.370506
C -3.863475 3.324371 2.223869
C -7.389150 1.393839 -1.482695
C -7.263106 0.027398 -1.774881
H 1.891668 1.409778 1.824460
H 3.678976 1.199812 1.701978
H 2.343488 1.300743 -1.010964
H 3.773103 2.174081 -0.431397
H -0.512143 -2.834274 -0.231154
H 0.738690 -3.998017 -0.782235
H 5.395777 -0.127963 0.344910
H 3.072755 -4.439181 -0.946697
H 2.219468 3.815628 0.786156
H 2.025065 3.803775 -0.953481
H 0.276827 0.401823 2.032529
H 1.180713 -4.644420 1.660079
H -0.054702 -3.497307 2.186272
H -0.513822 -4.907026 1.222546
H -1.417770 -1.369793 0.112632
H -1.782994 1.233809 1.792085
H -2.606222 3.265293 0.422787
H -4.283304 3.826023 0.136220
H -6.514175 3.158464 -0.555784
H -6.033087 -1.770866 -1.594351
H -4.896788 3.184277 2.556434
H -3.555987 4.347590 2.486958
H -3.223861 2.653693 2.816502
H -8.278836 1.928166 -1.819623
H -8.054787 -0.474943 -2.331307


%chk=000086829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086829

0 1
Cl 7.624210 -2.271418 0.229666
Cl 6.188433 -5.055147 -0.720054
S 0.476154 3.585671 1.032360
O -4.179313 -0.648873 -0.272399
O 0.353595 2.385746 2.188277
O 0.356540 5.116763 1.579813
O -0.488358 3.209214 -0.274698
N 2.641350 -0.441554 0.645884
N 1.649787 -2.344799 -0.049923
N -4.227164 1.626074 -0.090410
C 1.391651 -1.037028 0.389311
C 3.663110 -1.361304 0.375292
C 2.815802 0.974014 1.050299
C 3.038513 -2.573150 -0.049942
C 2.576480 1.970807 -0.120702
C 0.628041 -3.354388 -0.384185
C 5.061828 -1.254983 0.462854
C 3.795357 -3.707784 -0.384102
C 2.311593 3.399700 0.368100
C 0.196099 -0.311063 0.535548
C -0.008496 -3.998986 0.864384
C 5.822738 -2.394927 0.121271
C 5.201618 -3.599596 -0.292407
C -1.146218 -0.583636 0.205237
C -3.403656 0.508627 -0.024072
C -2.040660 0.509210 0.240554
C -5.549067 1.210526 -0.352603
C -3.758171 3.022844 0.117110
C -5.516364 -0.202077 -0.475885
C -6.759106 1.912498 -0.504588
C -6.641899 -0.977753 -0.750407
C -3.681713 3.412451 1.606753
C -7.915961 1.143017 -0.784073
C -7.863437 -0.269581 -0.905431
H 2.104103 1.210752 1.865146
H 3.838551 1.081318 1.451035
H 1.706047 1.650174 -0.725711
H 3.451301 1.972461 -0.800234
H -0.138437 -2.875675 -1.017958
H 1.116468 -4.122449 -1.008439
H 5.562668 -0.337264 0.778767
H 3.342497 -4.649610 -0.702022
H 2.924360 3.721986 1.226002
H 2.353186 4.143707 -0.442176
H 0.339703 0.695750 0.959393
H 0.753645 -4.512545 1.475577
H -0.504446 -3.242635 1.496030
H -0.765214 -4.742962 0.558189
H -1.512766 -1.572708 -0.097906
H -1.594005 1.498702 0.418161
H -2.754356 3.133087 -0.337920
H -4.456602 3.678225 -0.432410
H -6.812137 3.000411 -0.408727
H -6.584388 -2.065351 -0.838867
H -4.661700 3.324995 2.109279
H -3.334216 4.457266 1.683457
H -2.943703 2.789976 2.141281
H -8.876119 1.654358 -0.907247
H -8.780253 -0.827185 -1.120232


