%chk=000224851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224851

0 1
S 3.160962 -0.864974 -0.118410
S -1.570185 -0.679887 1.052506
O 1.682380 -1.583734 -0.510174
O -1.058654 -1.542349 -0.293015
O 4.015295 -1.124603 -1.251022
O 3.517470 -1.369135 1.188112
O -0.373367 -0.213177 1.724673
O -2.476145 -1.544862 1.769098
C 1.099433 -2.515496 0.419560
C -0.335055 -2.777100 -0.112436
C 1.882059 -3.836595 0.441252
C -0.311578 -3.406294 -1.510050
C 1.894504 -4.506473 -0.937605
C 0.472592 -4.723628 -1.475899
C 2.737859 0.795402 -0.065698
C -2.390604 0.600394 0.270300
C 1.974838 1.299741 0.993653
C -3.790332 0.588595 0.190733
C 3.169300 1.654154 -1.086429
C -1.668357 1.654861 -0.301684
C 1.648246 2.657438 1.035167
C -4.463940 1.624925 -0.450892
C 2.847989 3.008805 -1.047869
C -2.338240 2.694714 -0.946682
C 2.086318 3.521239 0.019584
C -3.741148 2.686565 -1.027712
C 1.762265 4.976880 0.074106
C -4.470140 3.787014 -1.721138
H 1.083338 -2.032418 1.427267
H -0.899764 -3.406653 0.614964
H 1.441024 -4.513499 1.197962
H 2.921274 -3.651328 0.789652
H 0.166020 -2.687337 -2.211148
H -1.341908 -3.559276 -1.876300
H 2.435214 -5.468783 -0.885692
H 2.464004 -3.866477 -1.645343
H 0.519893 -5.152164 -2.495108
H -0.059999 -5.469386 -0.855792
H 1.613962 0.633291 1.794668
H -4.357438 -0.236858 0.638840
H 3.765614 1.257450 -1.917986
H -0.572508 1.670424 -0.241956
H 1.059449 3.039379 1.867765
H -5.551080 1.612508 -0.509389
H 3.191812 3.671043 -1.839442
H -1.769580 3.509073 -1.391832
H 2.589501 5.537498 0.539428
H 1.605159 5.410270 -0.922992
H 0.862295 5.189666 0.666933
H -4.994694 3.413310 -2.614851
H -5.233173 4.240792 -1.070547
H -3.810278 4.598956 -2.055427


%chk=000224851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224851

0 1
S 3.444479 -1.000016 0.771121
S -1.545383 -0.220909 1.136362
O 2.023327 -1.553381 -0.343327
O -0.765028 -0.862998 -0.445030
O 4.806222 -1.690493 0.233700
O 2.958312 -1.227770 2.303458
O -0.530599 0.837183 1.827928
O -2.112004 -1.498773 1.964232
C 1.059590 -2.433720 0.353582
C -0.293539 -2.261076 -0.378044
C 1.509239 -3.911578 0.286343
C -0.225171 -2.726034 -1.847366
C 1.584022 -4.410355 -1.174532
C 0.236077 -4.206476 -1.905263
C 3.462236 0.821764 0.332719
C -2.969305 0.713735 0.355954
C 2.431131 1.637178 0.824853
C -4.188173 0.035254 0.191562
C 4.527292 1.286051 -0.455011
C -2.763037 2.047353 -0.025397
C 2.494001 3.011723 0.505036
C -5.255694 0.745627 -0.395204
C 4.559579 2.664479 -0.756697
C -3.849531 2.733367 -0.613807
C 3.551626 3.544501 -0.279740
C -5.102204 2.096330 -0.812472
C 3.619495 5.029945 -0.582772
C -6.259828 2.834535 -1.457983
H 0.969306 -2.107821 1.410324
H -1.036766 -2.869292 0.181782
H 0.787704 -4.524712 0.864715
H 2.488492 -4.009765 0.789795
H 0.492796 -2.082236 -2.386327
H -1.218157 -2.601759 -2.315249
H 1.869067 -5.479090 -1.191206
H 2.378961 -3.850117 -1.702589
H 0.321635 -4.516769 -2.963890
H -0.538718 -4.851783 -1.441289
H 1.601597 1.232320 1.415832
H -4.300038 -1.000684 0.527022
H 5.299317 0.595325 -0.808410
H -1.797429 2.534341 0.141371
H 1.704747 3.676587 0.873959
H -6.220763 0.244162 -0.531502
H 5.378541 3.059248 -1.368863
H -3.718525 3.776216 -0.922880
H 4.262980 5.550618 0.152625
H 4.045312 5.221706 -1.583235
H 2.622223 5.500242 -0.537292
H -6.522001 2.383381 -2.433490
H -7.165872 2.789914 -0.826433
H -6.019639 3.896421 -1.633273


