%chk=000260680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260680

0 1
S -1.792290 3.108607 1.429144
O -0.660118 0.867929 -2.508456
O -1.264629 -1.108553 0.363036
O -1.625922 2.433069 -0.110037
O 1.693562 -0.331262 -0.006209
O 0.136317 -1.292217 -2.086399
O -0.640025 2.664761 2.178769
O -3.113762 2.794295 1.890911
C -0.705335 0.215163 0.346430
C -1.856652 1.024798 -0.303821
C 0.578549 0.444050 -0.475588
C -1.943524 0.868329 -1.846230
C 0.414045 0.096644 -1.969440
C -2.716836 -0.387060 -2.211989
C -0.329538 -2.180729 0.675274
C 2.327438 0.179938 1.191595
C 0.229122 -1.807291 -3.432483
C -1.138610 -3.439273 0.530623
C 2.999903 1.505482 0.954638
C -1.639698 4.769128 0.964851
C -1.028807 -4.469319 1.474832
C -1.986506 -3.593197 -0.576508
C 4.138094 1.577954 0.138563
C 2.491836 2.668612 1.550017
C -1.760610 -5.648677 1.303701
C -2.720828 -4.768618 -0.738629
C 4.772145 2.805705 -0.069062
C 3.133281 3.893252 1.344428
C -2.606121 -5.800216 0.200385
C 4.273421 3.963516 0.537392
H -0.525960 0.511193 1.409234
H -2.831128 0.749054 0.169304
H 0.831908 1.536968 -0.412155
H -2.387332 1.793069 -2.291613
H 1.273542 0.405610 -2.599900
H -2.693080 -0.557992 -3.293588
H -3.761588 -0.344807 -1.892605
H -2.249271 -1.279020 -1.732375
H 0.060626 -2.016667 1.692283
H 0.503876 -2.152085 -0.065616
H 1.583379 0.221276 2.008626
H 3.055934 -0.629706 1.399549
H -0.427324 -1.241898 -4.101232
H 1.268182 -1.780148 -3.771870
H -0.118023 -2.840835 -3.315751
H -1.432229 4.893310 -0.115128
H -0.817749 5.295527 1.476539
H -2.548525 5.363911 1.154183
H -0.379714 -4.355520 2.339973
H -2.063582 -2.766869 -1.297279
H 4.521055 0.675793 -0.337409
H 1.587875 2.621313 2.169503
H -1.673426 -6.449531 2.035382
H -3.382529 -4.883683 -1.594425
H 5.655852 2.860199 -0.702023
H 2.745157 4.792931 1.817058
H -3.175915 -6.717695 0.073145
H 4.772592 4.917585 0.380654


%chk=000260680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260680

0 1
S -1.775358 3.019714 1.786730
O -0.652818 1.006093 -2.480467
O -1.362450 -1.193036 0.262385
O -1.572333 2.490614 -0.001589
O 1.679884 -0.346030 0.111417
O 0.245282 -1.250198 -2.202471
O -0.383663 2.820571 2.600171
O -3.144527 2.386401 2.374967
C -0.786878 0.145885 0.346204
C -1.881471 1.062428 -0.264422
C 0.534983 0.404555 -0.415605
C -1.982023 0.968700 -1.814440
C 0.417947 0.159615 -1.926212
C -2.830412 -0.233232 -2.274176
C -0.553437 -2.271856 0.887968
C 2.357444 0.340395 1.246206
C 0.484251 -1.579094 -3.615461
C -1.278794 -3.576913 0.650814
C 3.118420 1.583355 0.815827
C -1.992319 4.851615 1.350928
C -1.768392 -4.356116 1.726168
C -1.456784 -4.043723 -0.677638
C 4.183895 1.478079 -0.116341
C 2.779945 2.856989 1.337960
C -2.421613 -5.587417 1.483138
C -2.114973 -5.267328 -0.923211
C 4.905123 2.624508 -0.512807
C 3.507303 4.006046 0.945809
C -2.596975 -6.045369 0.157705
C 4.570061 3.892864 0.021171
H -0.632938 0.416493 1.416183
H -2.858129 0.801454 0.186237
H 0.729551 1.493850 -0.320210
H -2.446248 1.907479 -2.168127
H 1.321438 0.540068 -2.444334
H -2.824841 -0.271485 -3.377597
H -3.876942 -0.110213 -1.937586
H -2.436472 -1.173910 -1.864752
H -0.445567 -2.061688 1.973980
H 0.447083 -2.274006 0.420680
H 1.625643 0.591669 2.039576
H 3.040953 -0.438029 1.627288
H -0.243705 -1.067127 -4.272484
H 1.514227 -1.297014 -3.915845
H 0.363795 -2.670559 -3.697157
H -1.100348 5.127198 0.773345
H -2.062445 5.385241 2.308786
H -2.912669 4.913707 0.756904
H -1.643670 -3.997852 2.755574
H -1.077095 -3.428979 -1.501719
H 4.437987 0.494623 -0.529458
H 1.945943 2.946210 2.045051
H -2.795487 -6.183326 2.323560
H -2.250547 -5.619689 -1.952407
H 5.728744 2.533017 -1.230107
H 3.244058 4.986082 1.360309
H -3.104998 -6.997858 -0.032362
H 5.133866 4.782634 -0.281854


