%chk=000298233.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298233

0 1
S -0.449501 3.185819 0.163039
O 0.564212 -1.419609 -0.756567
O -2.753310 -0.531283 0.579510
O 1.688922 -0.020601 0.718781
O -2.070972 -2.704014 0.687616
O -0.396157 1.659879 0.925580
O 2.650120 1.158718 -0.975243
O -1.385340 3.971627 0.905650
O -0.662202 2.880565 -1.235523
C -1.403206 -0.459774 1.081585
C 0.731953 -0.062777 -0.343817
C -0.626735 0.488607 0.142953
C -0.941147 -1.937841 1.158511
C 0.285544 -2.330187 0.328451
C 1.417032 0.650637 -1.534651
C -2.999162 -1.834691 -0.015499
C 2.997838 0.349627 0.185042
C -2.678952 -1.808611 -1.496890
C -4.401001 -2.257083 0.362941
C 3.672731 1.254615 1.190950
C 3.759044 -0.891489 -0.230620
C 1.173497 3.711828 0.427672
H -1.501537 0.014824 2.087300
H -1.271988 0.723741 -0.748703
H -0.819444 -2.273313 2.213985
H 1.194449 -2.394288 0.955376
H 0.110174 -3.282437 -0.212781
H 1.658870 -0.048935 -2.354185
H 0.877269 1.534653 -1.928079
H -1.595888 -1.697413 -1.669556
H -3.181137 -0.971310 -1.996718
H -2.987486 -2.736477 -1.991448
H -4.638776 -1.939007 1.389385
H -4.502896 -3.349757 0.327369
H -5.153490 -1.813926 -0.299538
H 4.457827 0.737440 1.755951
H 4.135084 2.118818 0.693868
H 2.942403 1.631647 1.924016
H 4.654784 -0.631350 -0.808490
H 4.068448 -1.487510 0.635561
H 3.137605 -1.545017 -0.863233
H 1.923178 3.020163 -0.024540
H 1.397814 4.699941 -0.000580
H 1.447528 3.777954 1.492167


%chk=000298233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298233

0 1
S -0.701930 2.925431 -0.489850
O 0.956117 -1.741095 -0.955958
O -2.499237 -0.480957 0.973829
O 1.925412 -0.399808 0.824429
O -2.053555 -2.352255 -0.427001
O -0.152913 1.468860 0.599035
O 2.864513 1.188806 -0.629049
O -1.963056 3.684458 0.165434
O -0.788760 2.382336 -2.023347
C -1.052506 -0.757499 0.984848
C 1.094668 -0.406641 -0.391047
C -0.304889 0.146971 -0.018401
C -0.974325 -2.250935 0.578866
C 0.357352 -2.707994 -0.015622
C 1.883709 0.430301 -1.427657
C -3.155903 -1.474827 0.048220
C 3.204777 0.318619 0.524402
C -3.755790 -0.761711 -1.162312
C -4.173944 -2.265348 0.877534
C 3.539378 1.212151 1.711832
C 4.297571 -0.693983 0.152540
C 0.885275 3.935865 -0.221890
H -0.683592 -0.565956 2.004559
H -0.887335 0.218087 -0.957778
H -1.213580 -2.887053 1.457753
H 1.073220 -2.894290 0.807741
H 0.216861 -3.627132 -0.605462
H 2.377189 -0.256432 -2.139236
H 1.255468 1.153438 -1.969344
H -2.983793 -0.195684 -1.708061
H -4.537133 -0.057036 -0.830954
H -4.206271 -1.497665 -1.850669
H -3.669615 -2.822322 1.685548
H -4.717477 -2.980351 0.236119
H -4.899407 -1.572444 1.337219
H 3.786176 0.597803 2.593851
H 4.406786 1.850773 1.471863
H 2.669061 1.844088 1.950457
H 5.237176 -0.165580 -0.084831
H 4.478687 -1.377267 1.000060
H 3.996426 -1.299588 -0.718641
H 1.716606 3.249991 -0.446541
H 0.815948 4.796470 -0.902129
H 0.862636 4.229810 0.836239


