%chk=000244682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244682

0 1
S 1.705120 0.794456 -0.539229
S 4.042402 -0.799322 0.322471
O -0.213799 -1.231843 -0.925070
O -0.151722 -1.041989 1.333468
C 3.040026 0.690528 0.733569
C 2.037023 -0.727143 -1.499915
C 3.506084 -1.059163 -1.397288
C 1.118801 -1.811278 -0.939155
C 2.426684 0.476979 2.088452
C 3.892086 1.926814 0.612833
C -0.692266 -0.760884 0.288013
C -1.943017 0.006843 0.078371
C -2.720191 0.326959 1.203755
C -2.344122 0.419007 -1.200579
C -3.900667 1.054938 1.043749
C -3.526659 1.147811 -1.352618
C -4.303115 1.464412 -0.232910
H 1.746278 -0.491377 -2.555069
H 3.725302 -2.114234 -1.657102
H 4.116060 -0.431465 -2.077606
H 1.403200 -2.152954 0.077597
H 1.009403 -2.677381 -1.615105
H 1.743482 -0.396316 2.114293
H 3.181075 0.311407 2.869983
H 1.820278 1.337249 2.407810
H 4.728136 1.915859 1.328409
H 4.333448 2.045213 -0.387665
H 3.317196 2.843277 0.814522
H -2.392255 0.004862 2.195467
H -1.728234 0.166736 -2.067363
H -4.506970 1.304795 1.913079
H -3.841846 1.470002 -2.343787
H -5.224920 2.033303 -0.354480


%chk=000244682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244682

0 1
S 2.084809 1.110437 -0.595790
S 4.093712 -1.057838 0.376845
O -0.277155 -0.974747 -1.000022
O -0.399620 -0.934823 1.337770
C 3.386405 0.687678 0.778406
C 2.102365 -0.554627 -1.499688
C 3.542825 -1.085801 -1.428104
C 1.082635 -1.554307 -0.928791
C 2.701721 0.621385 2.155021
C 4.499725 1.748052 0.709746
C -0.902364 -0.664008 0.220100
C -2.223536 -0.005602 0.012254
C -3.000220 0.299273 1.160600
C -2.710096 0.323072 -1.279705
C -4.254388 0.926770 1.017996
C -3.965513 0.952121 -1.417084
C -4.739253 1.254545 -0.271093
H 1.840480 -0.304058 -2.544268
H 3.619890 -2.137226 -1.759236
H 4.219421 -0.458319 -2.029363
H 1.323366 -1.819783 0.114356
H 1.048900 -2.463135 -1.557850
H 1.854890 -0.083137 2.150193
H 3.428817 0.307941 2.928838
H 2.319408 1.621336 2.432549
H 5.244957 1.567812 1.506466
H 5.014989 1.726131 -0.264308
H 4.075432 2.760074 0.854609
H -2.602203 0.038304 2.146715
H -2.100960 0.085542 -2.155902
H -4.852517 1.161037 1.905174
H -4.340974 1.208283 -2.413749
H -5.713650 1.743718 -0.381784


