%chk=000183454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183454

0 1
S 3.086583 -0.288150 -0.803478
O 3.295611 1.153363 -0.746398
O 4.056373 -1.114049 -1.508693
O -1.809140 -0.150158 -0.152148
O -1.408434 -0.717433 -2.319424
O -1.679891 2.958061 1.632538
O 0.345257 1.967763 1.777846
C 1.474195 -0.612007 -1.517425
C 0.377273 0.228585 -0.853253
C 1.538969 -0.490174 -3.067066
C 0.439977 1.739002 -1.148817
C 2.449816 0.634996 -3.563464
C 1.989501 -1.826182 -3.673324
C -0.995596 -0.288018 -1.278274
C 2.947493 -0.901759 0.812914
C -0.629359 2.547206 -0.412540
C 2.550358 -0.064512 1.858153
C 3.289889 -2.234124 1.072899
C -0.530224 2.427339 1.081700
C 2.461632 -0.568146 3.161279
C 3.202723 -2.738496 2.371851
C 2.784922 -1.903277 3.416412
C -3.190479 -0.383827 -0.166403
C -3.794207 -1.393409 -0.917568
C -3.902315 0.457729 0.701295
C -1.773196 2.955656 3.081953
C -5.174656 -1.571647 -0.776440
C -5.276370 0.252067 0.825014
C -5.911565 -0.758832 0.090711
H 1.221436 -1.687500 -1.305371
H 0.445650 0.096159 0.269535
H 0.495945 -0.284277 -3.429838
H 0.352356 1.924366 -2.239349
H 1.459362 2.117082 -0.864948
H 2.361350 1.560132 -2.981285
H 2.224612 0.884411 -4.606583
H 3.514067 0.350279 -3.539379
H 2.991374 -2.115105 -3.314321
H 2.054850 -1.758339 -4.765285
H 1.295678 -2.639258 -3.442037
H -1.655190 2.247234 -0.733513
H -0.547199 3.622473 -0.692929
H 2.303241 0.991816 1.668827
H 3.641915 -2.879247 0.260517
H 2.141298 0.086716 3.970850
H 3.466520 -3.774890 2.574363
H 2.716956 -2.296687 4.431187
H -3.210960 -2.008257 -1.602513
H -3.382458 1.242280 1.252146
H -1.784080 1.922626 3.443732
H -0.928474 3.506432 3.507961
H -2.725512 3.465541 3.261388
H -5.675617 -2.351439 -1.350212
H -5.859006 0.885226 1.493585
H -6.984449 -0.908642 0.193922


%chk=000183454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183454

0 1
S 3.183465 -0.302143 -0.739549
O 3.483309 1.294263 -0.511572
O 4.264112 -1.251079 -1.530566
O -1.841623 -0.047376 -0.071255
O -1.422712 -0.762968 -2.270722
O -1.717268 3.184646 1.553635
O 0.386856 2.207202 1.672609
C 1.418293 -0.532514 -1.660732
C 0.366891 0.330355 -0.918324
C 1.590155 -0.369696 -3.194319
C 0.422464 1.855243 -1.257583
C 2.604432 0.713987 -3.652322
C 1.930415 -1.733234 -3.845037
C -1.026168 -0.237680 -1.211140
C 2.944490 -1.084124 0.980367
C -0.631628 2.719498 -0.534602
C 2.483491 -0.274734 2.032023
C 3.319316 -2.430133 1.125876
C -0.559317 2.649437 0.981738
C 2.371528 -0.874240 3.309444
C 3.201274 -3.007515 2.411668
C 2.724899 -2.231695 3.495983
C -3.239677 -0.382507 -0.062534
C -3.740541 -1.591268 -0.590258
C -4.072385 0.551058 0.589038
C -1.743416 3.222614 3.038067
C -5.122350 -1.858821 -0.458759
C -5.449863 0.265220 0.712309
C -5.978336 -0.938293 0.188956
H 1.257128 -1.597018 -1.406580
H 0.513566 0.231502 0.173373
H 0.581446 -0.074044 -3.549034
H 0.290203 1.997251 -2.345323
H 1.438552 2.196467 -0.989550
H 2.449198 1.688662 -3.162699
H 2.507912 0.853646 -4.744320
H 3.638989 0.391929 -3.439746
H 2.904315 -2.102516 -3.478208
H 1.990159 -1.628578 -4.943731
H 1.151682 -2.485734 -3.619631
H -1.663577 2.475193 -0.841479
H -0.474726 3.779570 -0.818198
H 2.231139 0.778690 1.870861
H 3.721284 -2.985353 0.271522
H 2.013509 -0.275518 4.153341
H 3.489243 -4.052743 2.566338
H 2.640185 -2.683737 4.490480
H -3.079675 -2.296750 -1.097785
H -3.637742 1.476300 0.981695
H -1.705751 2.197966 3.444307
H -0.883683 3.798017 3.419671
H -2.692947 3.715331 3.289224
H -5.527083 -2.791643 -0.865862
H -6.107417 0.982948 1.214470
H -7.047212 -1.156641 0.284730


