%chk=000242806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242806

0 1
S -0.150242 0.098607 -0.104341
S 3.986370 -0.676159 0.645934
O -0.309359 1.475179 -0.539976
O -0.177698 -0.962483 -1.090717
O 4.648597 0.452301 1.271723
O 3.558681 -1.779685 1.493982
C 2.532114 -0.106061 -0.233905
C 1.389561 -0.022278 0.771795
C -1.335049 -0.233044 1.168653
C 2.838012 1.230370 -0.894605
C 5.025760 -1.314873 -0.610583
C -2.732236 -0.144231 0.632811
C -3.567509 -1.271074 0.654084
C -3.216206 1.074735 0.129785
C -4.879362 -1.175241 0.179641
C -4.527253 1.161217 -0.341818
C -5.362919 0.039044 -0.315200
H 2.254312 -0.850665 -1.032714
H 1.539028 0.846484 1.448937
H 1.407699 -0.910400 1.448897
H -1.165748 -1.228825 1.631291
H -1.237081 0.478201 2.017887
H 3.323959 1.940382 -0.204807
H 1.915644 1.736191 -1.239739
H 3.477129 1.127013 -1.777824
H 4.684987 -2.280701 -1.009335
H 5.158780 -0.644551 -1.468330
H 6.047128 -1.506796 -0.241570
H -3.198725 -2.223368 1.029201
H -2.561438 1.950352 0.082848
H -5.523985 -2.052971 0.194287
H -4.897679 2.107017 -0.735972
H -6.384075 0.110911 -0.683922


%chk=000242806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242806

0 1
S -0.004879 1.537301 -0.238867
S 2.509491 -1.083918 0.288489
O -0.501029 3.061178 -0.572512
O 0.036729 0.430648 -1.457542
O 3.977026 -1.703946 0.658074
O 1.356001 -0.974024 1.464523
C 2.763445 0.801015 -0.428499
C 1.859303 1.687070 0.399827
C -1.131644 0.854170 1.340446
C 4.253000 1.120486 -0.324615
C 1.767287 -2.109605 -1.136754
C -2.218874 -0.016297 0.843957
C -2.027674 -1.425429 0.794062
C -3.457542 0.536768 0.414806
C -3.065702 -2.265109 0.340804
C -4.490019 -0.305987 -0.043814
C -4.297272 -1.708194 -0.079259
H 2.397606 0.685290 -1.464981
H 2.070896 2.759833 0.258000
H 1.825564 1.404545 1.465067
H -0.358877 0.335204 1.925659
H -1.433572 1.833752 1.739784
H 4.569533 1.285482 0.718669
H 4.468004 2.033901 -0.910087
H 4.864716 0.294144 -0.725191
H 0.872622 -1.553296 -1.456354
H 2.543793 -2.173818 -1.912190
H 1.546546 -3.090206 -0.692364
H -1.066031 -1.840994 1.118893
H -3.603203 1.623112 0.439595
H -2.919533 -3.350484 0.314098
H -5.441987 0.124221 -0.373062
H -5.102526 -2.362213 -0.432265


