%chk=000277553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277553

0 1
S 0.339869 1.269425 0.661029
O 0.351650 2.627460 0.137456
O 0.606940 1.042816 2.078161
O 2.829905 -2.267666 -1.358958
C 1.583409 0.317270 -0.251865
C 1.639467 -1.093355 0.355642
C 2.905427 1.059739 -0.057397
C 1.195956 0.277170 -1.725311
C -1.197571 0.553846 0.290702
C 2.800718 -1.900004 -0.206266
C -1.709479 -0.464754 1.100461
C -1.952880 1.033755 -0.784022
C 3.896994 -2.233332 0.763229
C -2.950072 -1.034365 0.814267
C -3.194887 0.470357 -1.077452
C -3.701749 -0.571053 -0.280331
C -5.022613 -1.186262 -0.599775
H 1.707819 -1.027170 1.465505
H 0.702852 -1.649010 0.134737
H 3.713259 0.603954 -0.644563
H 3.226748 1.071749 0.993149
H 2.837672 2.108850 -0.389886
H 1.163704 1.279220 -2.173188
H 0.234162 -0.217253 -1.904981
H 1.935966 -0.306911 -2.302752
H -1.142648 -0.808163 1.973206
H -1.574651 1.863320 -1.392756
H 4.733380 -2.742695 0.261254
H 4.300703 -1.334883 1.249847
H 3.544711 -2.899940 1.561608
H -3.340663 -1.829975 1.445577
H -3.775128 0.844934 -1.918589
H -5.720141 -0.470297 -1.057336
H -4.902887 -2.017593 -1.312359
H -5.524141 -1.595084 0.288656


%chk=000277553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277553

0 1
S 0.339812 1.483381 0.597562
O 0.205653 2.970358 -0.083964
O 0.662525 1.286772 2.199747
O 3.805235 -1.516457 -1.149228
C 1.842311 0.497954 -0.414305
C 1.942175 -0.843015 0.318583
C 3.034142 1.432226 -0.191402
C 1.382046 0.422935 -1.867237
C -1.286620 0.574337 0.261165
C 3.104035 -1.748184 -0.130299
C -1.699301 -0.411549 1.171981
C -2.061225 0.970732 -0.841975
C 3.358798 -2.959027 0.758260
C -2.937923 -1.051579 0.939885
C -3.294570 0.317127 -1.053823
C -3.745315 -0.706321 -0.176266
C -5.064639 -1.412974 -0.428837
H 2.033096 -0.666976 1.411035
H 1.010928 -1.433380 0.180337
H 3.907512 1.015308 -0.724736
H 3.281742 1.528930 0.880485
H 2.820152 2.437545 -0.594196
H 1.166804 1.431316 -2.263324
H 0.488935 -0.214647 -1.994709
H 2.204941 -0.018121 -2.459733
H -1.089695 -0.630646 2.055406
H -1.721934 1.789008 -1.485754
H 3.985555 -3.694025 0.229986
H 3.892929 -2.633440 1.672471
H 2.414551 -3.429214 1.086954
H -3.287213 -1.817315 1.642220
H -3.920889 0.613746 -1.903319
H -5.831481 -0.714542 -0.807588
H -4.946427 -2.210807 -1.187443
H -5.454843 -1.885357 0.488762


