%chk=000242185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242185

0 1
S 3.566288 0.204821 0.975150
O 2.979564 -1.277698 1.350027
O 3.484547 1.465550 2.026372
O -1.119621 -2.209757 -1.153135
O -2.916818 -0.213291 0.128691
O -3.790935 1.566779 -1.135518
C 2.646568 0.841196 -0.810755
C 1.190699 0.615811 -0.610785
C 3.165637 2.258050 -1.004031
C 5.403625 -0.022222 0.546732
C 0.636641 -0.641723 -0.946077
C 0.345397 1.618229 -0.056110
C -0.738519 -0.922717 -0.766648
C -1.016845 1.348323 0.143833
C 6.274087 1.055960 0.778013
C 5.822798 -1.274392 0.066424
C -1.560644 0.091383 -0.201012
C 7.645137 0.870705 0.482822
C 7.197483 -1.441022 -0.224254
C 8.101227 -0.370352 -0.022509
C -3.972716 0.618842 -0.342854
C -2.534587 -2.557020 -1.371588
C -5.279144 0.180576 0.220345
C -6.452494 0.826110 -0.252860
C -5.377803 -0.839584 1.203435
C -7.714428 0.449472 0.248333
C -6.643607 -1.209570 1.703897
C -7.812260 -0.569000 1.227071
H 3.108296 0.097305 -1.480368
H 2.648252 2.730216 -1.859762
H 2.983782 2.874689 -0.105325
H 4.249136 2.264806 -1.211732
H 1.259990 -1.442135 -1.356615
H 0.750008 2.592178 0.230783
H -1.675284 2.105274 0.579038
H 5.889571 1.988155 1.205904
H 5.105237 -2.095260 -0.038576
H 8.353110 1.688129 0.655888
H 7.560907 -2.404914 -0.596074
H 9.164861 -0.508170 -0.245846
H -3.093609 -2.585318 -0.422242
H -2.499623 -3.560275 -1.823229
H -3.017064 -1.848608 -2.069578
H -6.351595 1.614364 -1.006283
H -4.467134 -1.319876 1.571680
H -8.618669 0.946602 -0.118350
H -6.720610 -1.992511 2.465769
H -8.793636 -0.859505 1.618308


%chk=000242185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242185

0 1
S 3.550071 0.216887 0.979861
O 2.969584 -1.259207 1.389198
O 3.446852 1.507334 1.992615
O -1.160538 -2.234932 -1.097501
O -2.918152 -0.214091 0.120668
O -3.822276 1.567495 -1.118979
C 2.647665 0.792261 -0.830255
C 1.188524 0.581898 -0.633897
C 3.174376 2.198689 -1.074047
C 5.394335 -0.008579 0.578989
C 0.626352 -0.680823 -0.938290
C 0.346791 1.607251 -0.117293
C -0.752058 -0.940780 -0.762051
C -1.019618 1.356421 0.083531
C 6.254960 1.080892 0.792680
C 5.826398 -1.270531 0.137802
C -1.568549 0.092865 -0.225337
C 7.630861 0.896114 0.520355
C 7.205751 -1.436410 -0.130706
C 8.100505 -0.355213 0.054256
C -3.985527 0.617213 -0.325048
C -2.536950 -2.479855 -1.568925
C -5.277837 0.175623 0.266521
C -6.462082 0.825771 -0.172000
C -5.352583 -0.852972 1.243049
C -7.711362 0.445693 0.357324
C -6.605884 -1.226511 1.771457
C -7.785531 -0.581021 1.329531
H 3.108809 0.022905 -1.470904
H 2.667512 2.638059 -1.953257
H 2.985182 2.851889 -0.203231
H 4.259913 2.194150 -1.271047
H 1.245351 -1.497069 -1.323382
H 0.757945 2.585832 0.143432
H -1.671964 2.131355 0.495140
H 5.858986 2.021682 1.190170
H 5.114656 -2.097992 0.045864
H 8.331953 1.722012 0.680697
H 7.579659 -2.407573 -0.471908
H 9.167784 -0.492456 -0.151347
H -3.252078 -2.490326 -0.730702
H -2.491553 -3.472336 -2.043119
H -2.842390 -1.721631 -2.314124
H -6.379672 1.620245 -0.921157
H -4.433396 -1.337589 1.583644
H -8.624080 0.946447 0.017560
H -6.664404 -2.016214 2.527937
H -8.757088 -0.874265 1.742624


