%chk=000266077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266077

0 1
S 0.002124 0.542883 -0.001750
O -2.392784 1.555169 -0.158643
O 2.405405 1.535793 0.151814
O 0.236098 1.246497 1.252759
O -0.226070 1.243927 -1.258770
C -1.357829 -0.580102 0.193268
C 1.352716 -0.591999 -0.192812
C -2.694517 0.204021 0.224501
C 2.695927 0.180812 -0.226394
C -3.746467 -0.366161 -0.722024
C -3.201679 0.330359 1.658019
C 3.742673 -0.394985 0.722516
C 3.204516 0.297929 -1.660179
C -4.642011 0.520547 -1.338304
C -4.236862 -0.480741 2.140785
C 4.644906 0.486200 1.336936
C 4.233886 -0.522498 -2.139566
C -3.864111 -1.741887 -0.961428
C -2.604374 1.275415 2.506373
C 3.849081 -1.770951 0.965861
C 2.614422 1.244157 -2.512285
C -5.626022 0.038582 -2.204910
C -4.669584 -0.347980 3.463595
C 5.624383 -0.001238 2.205629
C 4.667958 -0.397890 -3.462735
C -4.850676 -2.222285 -1.827746
C -3.043749 1.407803 3.825842
C 4.831125 -2.256835 1.834243
C 3.055138 1.368372 -3.832093
C -5.729875 -1.333589 -2.454198
C -4.075737 0.596110 4.307038
C 5.716998 -1.373486 2.458858
C 4.081292 0.547334 -4.309918
H -1.269800 -1.178827 1.120623
H -1.370021 -1.325147 -0.623646
H 1.259841 -1.192949 -1.118253
H 1.358580 -1.334473 0.626507
H -2.155599 1.640832 -1.130002
H 2.168726 1.626941 1.122843
H -4.569023 1.591655 -1.128472
H -4.718923 -1.211421 1.492323
H 4.580787 1.557260 1.123999
H 4.710446 -1.254230 -1.488229
H -3.195939 -2.446393 -0.469389
H -1.787988 1.906925 2.128264
H 3.175620 -2.471434 0.475288
H 1.802626 1.883120 -2.136809
H -6.314403 0.734058 -2.683479
H -5.475004 -0.978477 3.834453
H 6.318005 0.690014 2.682748
H 5.468847 -1.035665 -3.830955
H -4.935163 -3.291709 -2.013040
H -2.578172 2.145673 4.477440
H 4.906875 -3.326384 2.022575
H 2.595190 2.107206 -4.486592
H -6.495520 -1.709001 -3.130979
H -4.417290 0.700216 5.335035
H 6.479110 -1.753133 3.137261
H 4.423893 0.645059 -5.338193


%chk=000266077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266077

0 1
S -0.011063 2.002023 -0.017234
O -3.056229 2.115626 0.939993
O 3.039305 2.133645 -0.962320
O 1.143010 2.865327 0.796879
O -1.176845 2.839645 -0.841508
C -0.944455 0.950095 1.375142
C 0.938450 0.947488 -1.396539
C -2.457905 0.786448 1.073728
C 2.451876 0.798721 -1.085912
C -2.744655 -0.076341 -0.173379
C -3.040854 0.172594 2.373796
C 2.736207 -0.049398 0.171818
C 3.047048 0.177077 -2.376669
C -3.875630 0.238839 -0.966573
C -3.107360 -1.227191 2.583936
C 3.852015 0.288100 0.977123
C 3.140741 -1.223818 -2.567943
C -1.954223 -1.197794 -0.534092
C -3.465341 1.050099 3.404398
C 1.957015 -1.179201 0.531339
C 3.455953 1.048437 -3.418870
C -4.198471 -0.536471 -2.100530
C -3.593263 -1.741875 3.806660
C 4.170667 -0.473541 2.121603
C 3.637610 -1.745522 -3.783309
C -2.274880 -1.975460 -1.670808
C -3.954165 0.532596 4.623264
C 2.273497 -1.943160 1.678420
C 3.955386 0.524119 -4.630430
C -3.398072 -1.645287 -2.461043
C -4.015432 -0.864936 4.831767
C 3.381351 -1.590714 2.480647
C 4.043520 -0.874696 -4.820061
H -0.774981 1.609735 2.241874
H -0.353652 0.026045 1.456297
H 0.767585 1.598542 -2.269491
H 0.356035 0.017820 -1.473134
H -2.563729 2.591457 0.189523
H 2.536294 2.614987 -0.222262
H -4.486331 1.101293 -0.684171
H -2.812926 -1.920054 1.789523
H 4.454459 1.156581 0.695497
H 2.859191 -1.911566 -1.764539
H -1.093636 -1.493114 0.079063
H -3.435230 2.127321 3.219067
H 1.109171 -1.492120 -0.090859
H 3.406321 2.127374 -3.248038
H -5.073932 -0.274291 -2.704891
H -3.649687 -2.826145 3.954622
H 5.034211 -0.193985 2.735246
H 3.715158 -2.830426 -3.916343
H -1.652677 -2.838739 -1.933504
H -4.289417 1.219411 5.408408
H 1.660278 -2.813247 1.939778
H 4.278230 1.206629 -5.424470
H -3.646950 -2.244130 -3.343959
H -4.394487 -1.265925 5.778491
H 3.626949 -2.178829 3.371647
H 4.430943 -1.281099 -5.761065


