%chk=000291499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291499

0 1
Cl -0.241023 -0.378865 -1.915429
S 3.914238 1.397588 0.234357
S -3.983654 0.866901 1.004103
O 4.315396 1.566866 1.618903
O 3.375969 2.540412 -0.477866
O -3.435346 2.185197 1.283111
O -4.584044 0.116583 2.082448
N 2.726580 0.155498 0.229877
N -2.720619 -0.110672 0.363120
C 0.780059 -1.227291 0.443427
C -0.575310 -1.056855 -0.264653
C 0.583932 -1.863036 1.831395
C -1.248948 -2.415972 -0.447184
C -0.370408 -3.029471 1.818569
C -1.217881 -3.264586 0.799308
C 1.496344 0.116809 0.581294
C -1.444110 0.023626 0.405629
C 0.631692 1.224084 1.121852
C -0.706165 1.149297 1.013312
C -0.317560 -3.860304 3.062368
C -2.209676 -4.384792 0.786121
C 1.299777 2.382533 1.763541
C 5.188561 0.679502 -0.677045
C -5.065746 0.966033 -0.337261
C 5.241607 0.862378 -2.062963
C 6.167548 -0.079764 -0.027538
C -5.950053 -0.084771 -0.600202
C -5.058289 2.102188 -1.153381
C 6.275902 0.281379 -2.802533
C 7.202074 -0.660743 -0.766786
C -6.826814 -0.002299 -1.686423
C -5.934608 2.185785 -2.239047
C 7.253709 -0.480771 -2.153582
C -6.816593 1.132241 -2.505156
H 1.414919 -1.920335 -0.176653
H 0.204471 -1.109751 2.556806
H 1.574137 -2.180893 2.221289
H -0.758176 -2.980231 -1.271344
H -2.302620 -2.266582 -0.781193
H -1.338264 1.979551 1.385658
H 0.707493 -4.172808 3.299767
H -0.922867 -4.775854 2.981632
H -0.703262 -3.298206 3.925267
H -3.222782 -3.999915 0.980621
H -2.000046 -5.140316 1.558128
H -2.231378 -4.905382 -0.179264
H 2.144254 2.098733 2.416834
H 0.615222 2.980280 2.384269
H 1.703341 3.082608 1.000164
H 4.480315 1.466696 -2.569260
H 6.130749 -0.212754 1.059407
H -5.963594 -0.968706 0.046080
H -4.372623 2.930332 -0.938384
H 6.319586 0.423123 -3.881461
H 7.966122 -1.251069 -0.263194
H -7.516621 -0.819073 -1.892594
H -5.930391 3.069608 -2.875327
H 8.060283 -0.935023 -2.730786
H -7.499710 1.196759 -3.353145


%chk=000291499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291499

0 1
Cl -0.212010 -0.236389 -2.310542
S 4.105455 1.531717 0.293246
S -3.898759 1.107518 1.058396
O 4.449798 1.763585 1.874657
O 3.767016 2.800387 -0.682124
O -3.385080 2.664679 1.055744
O -4.307742 0.378501 2.452831
N 2.809640 0.053855 0.113152
N -2.706140 -0.147574 0.148249
C 0.787709 -1.158071 0.161924
C -0.559531 -0.988282 -0.554056
C 0.563895 -1.833966 1.549458
C -1.241096 -2.339349 -0.775299
C -0.413057 -3.006175 1.526177
C -1.246932 -3.231372 0.468449
C 1.521110 0.182297 0.347239
C -1.407005 0.088443 0.147931
C 0.687488 1.333257 0.804377
C -0.687127 1.231884 0.723943
C -0.374096 -3.829981 2.800113
C -2.261276 -4.354091 0.372178
C 1.317319 2.581347 1.369073
C 5.547694 0.596657 -0.477445
C -5.342880 0.978649 -0.143713
C 5.760107 0.736873 -1.857499
C 6.365316 -0.162776 0.373519
C -6.265851 -0.060735 0.051937
C -5.444919 1.946174 -1.155444
C 6.865827 0.056670 -2.419155
C 7.466050 -0.834000 -0.208074
C -7.360432 -0.135122 -0.840392
C -6.546671 1.852447 -2.037271
C 7.709903 -0.727695 -1.597962
C -7.494993 0.813921 -1.881668
H 1.421387 -1.816714 -0.456315
H 0.208784 -1.085320 2.287526
H 1.551459 -2.175099 1.917079
H -0.722008 -2.860812 -1.603161
H -2.279712 -2.163212 -1.108642
H -1.300635 2.065372 1.086604
H 0.614934 -4.313599 2.928203
H -1.143004 -4.616813 2.834795
H -0.524470 -3.180164 3.685012
H -3.291393 -3.948010 0.419958
H -2.158141 -5.109804 1.166377
H -2.171288 -4.875948 -0.601041
H 2.070143 2.351088 2.145647
H 0.547643 3.240936 1.800584
H 1.851293 3.143870 0.577683
H 5.101085 1.368715 -2.461194
H 6.161422 -0.205927 1.448002
H -6.142510 -0.765301 0.880471
H -4.706157 2.750011 -1.235204
H 7.065943 0.143232 -3.492045
H 8.129504 -1.433733 0.423528
H -8.104331 -0.929362 -0.719873
H -6.662520 2.589571 -2.838368
H 8.565106 -1.249943 -2.040508
H -8.346164 0.749181 -2.568064


