%chk=000261561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261561

0 1
S -0.977001 0.573072 -0.723897
O 0.792701 -1.720539 -1.790893
O 2.845203 0.091894 0.253456
O -0.459264 -1.288366 0.767271
O 0.619222 -3.445334 -0.329800
O 3.042167 1.789530 1.731644
O -0.378328 -1.993498 2.919719
O -0.626056 2.828297 -2.021331
C 1.389368 0.128628 0.380719
C 0.987414 -1.334769 0.662838
C 0.837233 0.592468 -0.967050
C 1.324478 -2.236951 -0.548455
C 1.193545 -0.372835 -2.093327
C 3.589539 0.999857 1.000985
C -1.045469 -1.741605 1.945561
C -1.455204 2.118200 -1.518280
C 0.820489 -4.448987 -1.353344
C 5.032990 0.812413 0.739373
C -2.512095 -1.807743 1.752816
C -2.907913 2.364102 -1.419788
C 5.938767 1.617911 1.450374
C 5.500289 -0.133240 -0.185961
C -3.350763 -1.636601 2.865249
C -3.051128 -2.057306 0.481871
C -3.344816 3.700981 -1.383593
C -3.841699 1.319411 -1.362574
C 7.310132 1.472819 1.232250
C 6.873615 -0.271727 -0.398395
C -4.735240 -1.708688 2.698370
C -4.437847 -2.129918 0.325550
C -4.706252 3.987445 -1.276334
C -5.204827 1.614752 -1.258465
C 7.776576 0.529647 0.309553
C -5.276909 -1.954702 1.430981
C -5.636693 2.943698 -1.212085
H 1.102574 0.806325 1.223383
H 1.436398 -1.730815 1.604131
H 1.181846 1.629766 -1.216494
H 2.415043 -2.397290 -0.669583
H 0.637995 -0.169321 -3.029870
H 2.284009 -0.360251 -2.288940
H 0.508108 -4.057445 -2.327539
H 1.863552 -4.773856 -1.363769
H 0.155124 -5.254145 -1.019382
H 5.561958 2.351969 2.168579
H 4.786910 -0.753717 -0.733002
H -2.916678 -1.452553 3.850538
H -2.377706 -2.194086 -0.372533
H -2.611339 4.508925 -1.441995
H -3.524336 0.274154 -1.404487
H 8.016182 2.095007 1.781543
H 7.241700 -1.004294 -1.115602
H -5.392877 -1.575482 3.556039
H -4.862689 -2.328811 -0.656773
H -5.043626 5.022479 -1.244238
H -5.930446 0.804161 -1.210898
H 8.848450 0.418712 0.141485
H -6.358125 -2.012887 1.306925
H -6.699849 3.168235 -1.127329


%chk=000261561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261561

0 1
S -1.282661 0.717340 -0.784055
O 0.434727 -1.934548 -1.903284
O 2.619864 -0.135778 0.297658
O -0.608625 -1.843798 0.831579
O 0.745593 -3.846100 -0.550673
O 2.512171 1.982308 1.276831
O -0.135842 -2.740369 2.941047
O -0.254949 2.830616 -2.210243
C 1.124476 -0.208386 0.354959
C 0.829427 -1.711289 0.546367
C 0.577303 0.372673 -0.966338
C 1.150821 -2.497847 -0.737362
C 0.877615 -0.554067 -2.157092
C 3.200940 1.045637 0.809727
C -0.970172 -2.443358 2.054270
C -1.297481 2.361432 -1.688122
C 1.102873 -4.733212 -1.670297
C 4.686496 1.019547 0.719092
C -2.442967 -2.643621 2.138645
C -2.626615 3.037257 -1.748515
C 5.396270 2.161489 1.175534
C 5.395398 -0.094952 0.199032
C -2.983115 -3.110011 3.365522
C -3.297778 -2.393682 1.033084
C -2.721970 4.230141 -2.517394
C -3.776325 2.545208 -1.074956
C 6.803770 2.188070 1.111711
C 6.804216 -0.063334 0.138355
C -4.371465 -3.320118 3.488783
C -4.686130 -2.609045 1.162242
C -3.949325 4.914857 -2.614774
C -5.002476 3.234586 -1.174310
C 7.510092 1.076105 0.593208
C -5.225252 -3.069534 2.387417
C -5.092975 4.418397 -1.944424
H 0.770439 0.380265 1.218294
H 1.410503 -2.109882 1.397379
H 1.013222 1.371343 -1.155853
H 2.249089 -2.415817 -0.941819
H 0.344646 -0.226885 -3.061890
H 1.973651 -0.536552 -2.351488
H 0.565919 -4.436876 -2.587404
H 2.197260 -4.712796 -1.854641
H 0.797333 -5.741308 -1.353416
H 4.827914 3.008743 1.573124
H 4.840202 -0.971304 -0.146110
H -2.301653 -3.301597 4.201049
H -2.864423 -2.046728 0.090926
H -1.824660 4.598210 -3.025312
H -3.714680 1.635047 -0.468182
H 7.349982 3.069407 1.464004
H 7.352491 -0.923512 -0.260443
H -4.788338 -3.678812 4.436017
H -5.347176 -2.424199 0.308485
H -4.017107 5.832342 -3.209130
H -5.885039 2.853218 -0.650036
H 8.604550 1.097010 0.544775
H -6.304296 -3.236261 2.482693
H -6.047353 4.951427 -2.019050


