%chk=000247291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247291

0 1
S -4.238072 -1.879460 0.141416
S -5.627189 0.571343 -0.711055
O 5.039085 0.626865 -0.169965
O 6.897401 -0.481117 0.113018
C -1.549007 0.087069 0.317887
C -0.642522 1.154574 -0.391406
C 0.810420 1.071609 0.094026
C 1.352334 -0.335580 -0.303815
C -2.943361 0.497969 -0.275534
C 2.836268 -0.490431 0.149895
C -1.031554 -1.299907 -0.107986
C -1.412695 2.472197 -0.209697
C 0.457191 -1.462699 0.249731
C -2.900976 2.056196 -0.254667
C 1.669224 2.196708 -0.514952
C 3.626748 0.655666 -0.539429
C 3.147361 2.049784 -0.139414
C -1.509909 0.210987 1.845509
C -4.226304 -0.051250 0.332906
C 3.454051 -1.799926 -0.395896
C 2.975659 -0.433748 1.675694
C 4.956442 -1.882106 -0.123534
C -4.568605 0.302646 1.754866
C 5.704275 -0.574409 -0.064774
C -5.931537 -2.108427 -0.494576
C -6.209646 -0.986926 -1.461185
H -0.637419 0.926794 -1.489232
H 0.845602 1.168634 1.206977
H 1.327028 -0.404862 -1.419908
H -2.926903 0.175957 -1.353182
H -1.182696 -1.451928 -1.192437
H -1.607071 -2.104518 0.388381
H -1.170998 3.199217 -1.000258
H -1.163873 2.958541 0.747720
H 0.559514 -1.516168 1.351682
H 0.811805 -2.438206 -0.133800
H -3.441292 2.460907 0.617918
H -3.401725 2.465546 -1.148027
H 1.295867 3.178518 -0.165579
H 1.557991 2.210885 -1.616193
H 3.618859 0.534256 -1.646612
H 3.764157 2.820256 -0.642220
H 3.305608 2.215493 0.943992
H -0.496716 0.055611 2.235326
H -1.835349 1.201801 2.179287
H -2.159036 -0.534515 2.322720
H 3.263195 -1.881575 -1.484076
H 2.950500 -2.676599 0.056324
H 4.009232 -0.221856 1.977950
H 2.351001 0.359190 2.107700
H 2.679888 -1.376786 2.145656
H 5.448380 -2.529587 -0.882411
H 5.137311 -2.400896 0.846430
H -3.898156 -0.197027 2.475400
H -4.483215 1.384795 1.940193
H -5.592841 0.010700 2.031330
H -6.650427 -2.129263 0.347725
H -5.968943 -3.104595 -0.978985
H -5.705013 -1.136234 -2.436154
H -7.291745 -0.866411 -1.668899


%chk=000247291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247291

0 1
S -4.255295 -1.974521 -0.005828
S -5.605657 0.579854 -1.111104
O 5.148670 0.606444 -0.363119
O 7.073827 -0.610385 -0.451411
C -1.555409 0.106612 0.438444
C -0.630462 1.177248 -0.243632
C 0.847720 1.100353 0.185700
C 1.393446 -0.323555 -0.170894
C -2.922280 0.528605 -0.236653
C 2.918207 -0.490234 0.179355
C -1.004737 -1.289320 0.043832
C -1.392452 2.510801 -0.063184
C 0.494201 -1.441593 0.424747
C -2.897948 2.100253 -0.174250
C 1.699698 2.210104 -0.481474
C 3.660733 0.654706 -0.563329
C 3.207045 2.059518 -0.167561
C -1.581757 0.248077 1.983437
C -4.292542 -0.068155 0.196259
C 3.486390 -1.806140 -0.425071
C 3.180572 -0.449887 1.709108
C 5.017331 -1.912897 -0.239449
C -4.846406 0.299198 1.585915
C 5.827383 -0.620151 -0.390298
C -6.064287 -2.108123 -0.521267
C -6.291483 -1.100467 -1.649905
H -0.649387 0.940663 -1.333429
H 0.907555 1.247667 1.284267
H 1.317401 -0.409003 -1.282296
H -2.821178 0.237726 -1.302641
H -1.120973 -1.429104 -1.050826
H -1.582259 -2.098292 0.529868
H -1.110735 3.260848 -0.822971
H -1.174566 2.954167 0.927645
H 0.594901 -1.453262 1.527302
H 0.841314 -2.430898 0.070253
H -3.467422 2.477014 0.693528
H -3.377106 2.519892 -1.076124
H 1.349140 3.205277 -0.150126
H 1.547801 2.171026 -1.581626
H 3.495131 0.517359 -1.654270
H 3.801561 2.804796 -0.726515
H 3.403405 2.227415 0.907648
H -0.565191 0.227744 2.412199
H -2.059153 1.187940 2.311458
H -2.136059 -0.594319 2.435293
H 3.234524 -1.836954 -1.504765
H 3.011592 -2.690006 0.038092
H 4.250661 -0.291791 1.931425
H 2.625119 0.363231 2.206402
H 2.874095 -1.400336 2.181967
H 5.458636 -2.651678 -0.931712
H 5.254402 -2.279827 0.778501
H -4.170134 -0.032298 2.389552
H -4.999784 1.389708 1.676641
H -5.828005 -0.179090 1.741051
H -6.712870 -1.905226 0.346822
H -6.214784 -3.148232 -0.858911
H -5.777200 -1.414601 -2.571794
H -7.367338 -0.950194 -1.848475


