%chk=000250481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250481

0 1
S 1.924882 -1.621124 1.140771
O 1.552622 -2.702497 2.030518
O 2.201773 -1.919739 -0.249777
O 3.180796 0.810932 0.339220
O 5.299534 0.084941 0.710720
C -1.645626 0.312647 0.669166
C -0.581618 -0.792906 0.606641
C -2.954505 -0.140997 0.008603
C 0.728232 -0.346166 1.262041
C -4.022147 0.959742 0.067289
C -5.330140 0.505693 -0.594294
C -6.400546 1.604726 -0.536886
C 3.407688 -0.918239 1.864861
C -7.704182 1.157489 -1.194368
C 4.121741 -0.005572 0.936658
C 3.576554 1.545376 -0.869758
C 3.623025 0.573789 -2.027362
H -1.270688 1.227607 0.171187
H -1.835299 0.596971 1.722211
H -0.400692 -1.074203 -0.453753
H -0.966907 -1.706917 1.108211
H -3.331241 -1.056524 0.505403
H -2.767181 -0.427086 -1.044887
H 1.085602 0.591746 0.773864
H 0.532315 -0.052517 2.312208
H -4.212952 1.244231 1.120116
H -3.647846 1.875298 -0.429980
H -5.706779 -0.409990 -0.098953
H -5.142553 0.220278 -1.647356
H -6.592157 1.889120 0.516320
H -6.026743 2.520959 -1.034429
H 4.099715 -1.740601 2.175819
H 3.197107 -0.410789 2.828539
H -7.557985 0.904488 -2.250686
H -8.122458 0.272484 -0.701339
H -8.462411 1.947184 -1.148390
H 2.757478 2.282510 -0.941774
H 4.541767 2.044017 -0.675054
H 4.603154 0.085329 -2.118365
H 2.891097 -0.246312 -1.888087
H 3.399076 1.056622 -2.983769


%chk=000250481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250481

0 1
S 2.006325 -1.802659 1.403934
O 1.747710 -2.901516 2.585936
O 2.079783 -2.259955 -0.163127
O 3.460956 0.887861 0.333925
O 5.319165 -0.512953 0.055764
C -1.686093 0.269379 0.860162
C -0.595293 -0.831769 0.802345
C -2.952885 -0.132805 0.070641
C 0.652750 -0.407643 1.572973
C -4.060710 0.943784 0.110399
C -5.322944 0.544209 -0.686506
C -6.435939 1.616410 -0.647369
C 3.723547 -0.903368 1.873679
C -7.691408 1.210589 -1.449150
C 4.284012 -0.190252 0.675709
C 3.801802 1.602747 -0.942251
C 3.148325 0.896496 -2.132295
H -1.282202 1.218034 0.449903
H -1.959848 0.471346 1.915963
H -0.325403 -1.035724 -0.251322
H -0.998844 -1.772388 1.223951
H -3.351706 -1.084291 0.478760
H -2.677064 -0.337849 -0.984342
H 1.149202 0.484971 1.159184
H 0.511916 -0.338601 2.664305
H -4.341986 1.143448 1.165638
H -3.661376 1.898679 -0.291534
H -5.722952 -0.411382 -0.287453
H -5.043951 0.346427 -1.742686
H -6.716677 1.811370 0.407951
H -6.035392 2.571933 -1.043802
H 4.352473 -1.742862 2.199895
H 3.441394 -0.235477 2.701027
H -7.444521 1.042635 -2.514534
H -8.127381 0.273085 -1.055216
H -8.472198 1.991830 -1.402506
H 3.407975 2.619156 -0.783291
H 4.901074 1.629432 -1.037689
H 3.528088 -0.133036 -2.236443
H 2.051605 0.852397 -2.018615
H 3.380174 1.450313 -3.060812


