%chk=000225275.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225275

0 1
S 0.190289 -1.315021 -0.826938
O -0.107030 -0.774025 -2.149330
O -0.120490 -2.710469 -0.564710
C -0.684797 -0.342787 0.402592
C -0.249340 1.097888 0.374313
C -2.179617 -0.455466 0.235369
C 1.858587 -1.009790 -0.480477
C 2.554118 -1.638267 0.562632
C 0.210916 1.698727 1.557393
C -2.970106 -0.693192 1.372503
C -0.306016 1.853877 -0.807263
C -2.796755 -0.309852 -1.016051
C 2.528570 -0.102482 -1.317394
C 3.915271 -1.331103 0.765491
C 1.899806 -2.616807 1.477041
C 3.873614 0.196107 -1.115306
C 0.613281 3.037247 1.554018
C -4.359050 -0.788845 1.254735
C 0.096100 3.190995 -0.803260
C -4.186041 -0.407715 -1.126320
C 4.566464 -0.423138 -0.065579
C 0.557731 3.786468 0.375248
C -4.971092 -0.646467 0.005840
H -0.424023 -0.776463 1.408452
H 0.250400 1.129547 2.483308
H -2.506365 -0.803307 2.349925
H -0.664758 1.396617 -1.736974
H -2.198071 -0.130159 -1.917368
H 1.985560 0.373868 -2.145279
H 4.460942 -1.811985 1.575120
H 2.622513 -3.261162 1.996657
H 1.302965 -2.121664 2.253793
H 1.217096 -3.310546 0.936710
H 4.383881 0.901601 -1.767457
H 0.968550 3.497188 2.474881
H -4.965122 -0.976024 2.139557
H 0.046236 3.771709 -1.723770
H -4.656613 -0.299655 -2.102991
H 5.620435 -0.193377 0.098097
H 0.869253 4.828848 0.374873
H -6.052292 -0.723521 -0.085084


%chk=000225275-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225275

0 1
S 0.183640 -1.240560 -0.825360
O -0.001510 -0.564121 -2.312849
O -0.237487 -2.810376 -0.608448
C -0.949025 -0.026523 0.555157
C -0.396203 1.349911 0.424940
C -2.373869 -0.364889 0.248728
C 2.037074 -1.007947 -0.391486
C 2.614364 -1.633808 0.739841
C 0.729598 1.703192 1.225272
C -3.174505 -0.895250 1.296592
C -0.933827 2.327207 -0.458007
C -2.953128 -0.197689 -1.040998
C 2.752062 -0.227107 -1.314953
C 4.010345 -1.424795 0.909677
C 1.836476 -2.476925 1.734595
C 4.137033 -0.040448 -1.111608
C 1.300137 2.988648 1.148108
C -4.533552 -1.205756 1.080430
C -0.360832 3.613314 -0.535100
C -4.307552 -0.524387 -1.257007
C 4.761657 -0.641427 0.004768
C 0.757225 3.950111 0.263452
C -5.106403 -1.015796 -0.197936
H -0.602102 -0.523043 1.476088
H 1.152325 0.963370 1.916600
H -2.730527 -1.056179 2.286505
H -1.807242 2.089429 -1.069678
H -2.324750 0.117481 -1.880734
H 2.222769 0.201603 -2.173043
H 4.508061 -1.894675 1.766150
H 2.524951 -3.053991 2.373790
H 1.220487 -1.844707 2.405579
H 1.149490 -3.169462 1.218942
H 4.716773 0.561973 -1.818400
H 2.162342 3.241608 1.774462
H -5.139324 -1.604991 1.901159
H -0.787689 4.356024 -1.217920
H -4.737245 -0.409494 -2.258134
H 5.836877 -0.508167 0.168135
H 1.197056 4.951647 0.201299
H -6.158972 -1.265609 -0.371611


