%chk=000242810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242810

0 1
S -7.179802 0.268782 1.092706
S 7.174299 -0.202685 1.111237
O -1.630274 -1.920093 -1.065502
O 1.625108 1.825263 -1.200050
O -2.349955 -0.018514 -1.995737
O 2.345556 -0.138155 -1.990756
C -0.569907 0.533919 0.667221
C 0.564452 -0.497614 0.704510
C -1.942461 -0.130219 0.450735
C 1.937081 0.149235 0.441183
C -3.093162 0.848466 0.739080
C 3.087672 -0.806151 0.799614
C -4.459757 0.146834 0.726522
C 4.454319 -0.107319 0.736761
C -2.024728 -0.599488 -0.989667
C 2.019815 0.513630 -1.029222
C -5.578551 1.130118 1.040599
C 5.572958 -1.065375 1.121419
C -7.597681 0.065639 -0.675091
C 7.592411 -0.128099 -0.666574
C -8.913814 -0.681049 -0.714679
C 8.908650 0.613596 -0.759945
H -0.583270 1.108687 1.614938
H -0.385587 1.294269 -0.124874
H 0.577565 -1.002723 1.691123
H 0.380329 -1.312962 -0.030884
H -2.033278 -1.021921 1.126152
H 2.027705 1.087243 1.050716
H -2.926883 1.329757 1.723031
H -3.082675 1.669800 -0.008262
H 3.077291 -1.679242 0.113457
H 2.921149 -1.215179 1.815690
H -4.466158 -0.687387 1.458573
H -4.628655 -0.323495 -0.264467
H 4.460576 0.777639 1.406588
H 4.623520 0.290127 -0.285594
H -5.609332 1.961246 0.312931
H -5.447292 1.589778 2.040869
H 5.603763 -1.947039 0.455880
H 5.441506 -1.451345 2.152343
H -1.638228 -2.275298 -1.994052
H 1.633320 2.112715 -2.151757
H -6.796776 -0.492529 -1.193274
H -7.676601 1.055920 -1.159440
H 6.791640 0.391196 -1.223904
H 7.671248 -1.150852 -1.077961
H -8.845489 -1.669985 -0.239591
H -9.718822 -0.131984 -0.205643
H -9.241697 -0.844014 -1.750624
H 8.840406 1.634336 -0.357697
H 9.713525 0.102714 -0.212403
H 9.236670 0.701107 -1.804929


%chk=000242810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242810

0 1
S -7.362059 0.524384 1.185075
S 7.352878 -0.453960 1.219861
O -2.020826 -2.467340 -0.478348
O 2.017099 2.438833 -0.623346
O -2.466546 -0.723892 -1.942409
O 2.461011 0.610015 -1.979599
C -0.605667 0.496290 0.325859
C 0.598035 -0.470958 0.355905
C -1.987439 -0.218114 0.435925
C 1.979854 0.248374 0.424582
C -3.139510 0.817034 0.537463
C 3.130927 -0.779633 0.589419
C -4.529854 0.176200 0.762292
C 4.522115 -0.128423 0.775633
C -2.192948 -1.107168 -0.782951
C 2.187103 1.062682 -0.845447
C -5.633362 1.240450 0.897898
C 5.621205 -1.184238 0.991100
C -7.727215 -0.133601 -0.559298
C 7.739251 0.014011 -0.580315
C -9.191146 -0.592895 -0.629332
C 9.182934 0.530557 -0.668400
H -0.527031 1.206544 1.172589
H -0.594670 1.101865 -0.600780
H 0.518211 -1.128601 1.244045
H 0.588249 -1.131547 -0.532345
H -1.985906 -0.868664 1.330536
H 1.977770 0.951096 1.278789
H -2.908815 1.504944 1.375359
H -3.153142 1.422922 -0.389780
H 3.143908 -1.440951 -0.299059
H 2.898829 -1.414722 1.467701
H -4.516891 -0.452160 1.674051
H -4.768159 -0.494418 -0.086160
H 4.507290 0.562062 1.641224
H 4.766547 0.481260 -0.116028
H -5.682445 1.883954 0.000074
H -5.454313 1.889443 1.773960
H 5.666901 -1.894349 0.144912
H 5.440038 -1.764158 1.913866
H -2.139698 -3.006460 -1.308479
H 2.138246 2.926837 -1.484229
H -7.038593 -0.968771 -0.773247
H -7.529358 0.687556 -1.271301
H 7.020773 0.785867 -0.905211
H 7.598063 -0.891386 -1.197151
H -9.392805 -1.397134 0.100854
H -9.880698 0.243454 -0.418475
H -9.420307 -0.983371 -1.638258
H 9.325547 1.425390 -0.036473
H 9.902371 -0.240298 -0.339952
H 9.425949 0.806487 -1.711299


