%chk=000208882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208882

0 1
S -1.023866 -0.041306 -2.033199
S 0.064140 2.617398 -1.219237
O -2.681612 1.317411 -0.533749
O 0.627248 -1.699613 -1.615818
O 2.878767 0.619564 1.029435
O -3.339200 -0.836577 -0.694536
O 2.680423 -1.720622 -0.661092
O 2.036916 2.454881 -0.028004
O 0.871493 -1.426423 1.888882
O -0.253362 0.376665 2.593309
C -2.250177 1.337072 -1.909697
C -1.562213 2.667233 -2.063909
C 0.262323 0.892138 -1.322308
C -3.111516 0.269705 1.504089
C -2.811970 -1.043799 2.232950
C 1.357745 0.315735 -0.762246
C -3.089833 0.104767 0.015066
C -1.456506 -1.648374 1.860790
C 0.685459 -3.171664 -1.806992
C 3.565421 1.463588 2.054674
C 1.687245 -1.098446 -0.950566
C 2.144055 1.235618 0.070518
C -0.178470 -3.402960 -3.032735
C 0.150919 -3.803336 -0.533435
C 2.508046 2.128281 2.909884
C 4.408503 0.426040 2.772686
C -0.290834 -0.757232 2.170310
H -3.110125 1.144329 -2.579662
H -2.153532 3.479846 -1.588531
H -1.424954 2.943005 -3.126657
H -2.361911 1.049023 1.809145
H -4.095268 0.677813 1.819260
H -3.605929 -1.787918 2.007896
H -2.854591 -0.857791 3.327085
H -1.317657 -2.627545 2.371613
H -1.429308 -1.902014 0.768279
H 1.753932 -3.432959 -1.984117
H 4.177639 2.197065 1.486746
H -1.215611 -3.079379 -2.866602
H -0.200902 -4.463920 -3.306218
H 0.195235 -2.836364 -3.895810
H -0.899128 -3.537563 -0.357551
H 0.219746 -4.895861 -0.567911
H 0.726492 -3.460157 0.342763
H 2.919769 2.505335 3.851397
H 2.041338 2.975623 2.382327
H 1.680717 1.441719 3.160526
H 3.820880 -0.179900 3.473056
H 5.221006 0.896323 3.338208
H 4.862291 -0.274799 2.052788
H 1.699628 -0.841655 1.924799


%chk=000208882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208882

0 1
S -1.176764 -0.036166 -2.112683
S 0.047470 2.694068 -1.413422
O -2.572733 1.387270 -0.167271
O 0.877692 -1.822252 -1.974304
O 2.557095 0.577057 1.064309
O -3.959688 -0.489718 -0.258129
O 2.816029 -1.677063 -0.677313
O 2.891046 2.214840 -0.562563
O 0.601678 -1.201322 1.675908
O -0.382308 0.363324 3.083223
C -2.382981 1.356719 -1.623484
C -1.753824 2.683621 -2.005661
C 0.267395 0.885146 -1.479147
C -3.320167 0.496389 1.933804
C -3.023921 -0.851181 2.645200
C 1.421203 0.286124 -1.004357
C -3.359343 0.365738 0.424566
C -1.713894 -1.532529 2.195762
C 1.063155 -3.315229 -2.108378
C 3.481239 1.298815 2.032782
C 1.783527 -1.142699 -1.158228
C 2.379121 1.128672 -0.213402
C 0.485156 -3.680275 -3.476698
C 0.362002 -3.992410 -0.922249
C 2.677609 2.405730 2.727001
C 4.008421 0.210095 2.969720
C -0.463613 -0.679879 2.384535
H -3.329218 1.132329 -2.145662
H -2.257000 3.523877 -1.502272
H -1.757604 2.819526 -3.098050
H -2.567769 1.249354 2.213782
H -4.311133 0.861887 2.266858
H -3.857855 -1.553618 2.463504
H -2.985030 -0.647217 3.730376
H -1.565343 -2.470729 2.765917
H -1.763407 -1.833831 1.133274
H 2.152225 -3.501768 -2.066053
H 4.289827 1.726076 1.412664
H -0.589385 -3.431141 -3.527434
H 0.599562 -4.765553 -3.651305
H 1.009175 -3.139676 -4.283229
H -0.723484 -3.788767 -0.949144
H 0.515478 -5.086285 -0.970554
H 0.768149 -3.623372 0.034564
H 3.310780 2.900989 3.486062
H 2.351058 3.168243 2.000348
H 1.788668 1.981320 3.226149
H 3.197133 -0.202028 3.595858
H 4.773216 0.640925 3.640709
H 4.467039 -0.611424 2.394169
H 1.403214 -0.574004 1.627846


