%chk=000258839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258839

0 1
S 2.137147 2.343202 -2.093526
S -2.519768 2.344840 2.091914
O 1.052787 2.351184 -0.798442
O -1.237373 2.448968 0.999237
O -1.815015 0.696312 -2.252775
O 1.290666 -0.021734 1.833423
O 1.408105 2.706129 -3.275593
O 2.824241 1.078606 -2.007139
O -1.955758 2.048642 3.378711
O -3.481183 1.455377 1.489463
C -0.002030 1.364373 -0.748334
C -0.440411 1.274154 0.730050
C -1.128443 1.821616 -1.697093
C 0.715783 1.286656 1.750874
C -2.866228 0.121125 -1.440116
C 2.454538 -0.243322 0.989979
C 3.143504 3.644103 -1.546055
C -3.036625 3.995636 1.984952
C -2.375929 -1.110145 -0.727452
C 2.374757 -1.659210 0.488620
C -1.404290 -1.928809 -1.318578
C 2.017277 -2.697970 1.359539
C -2.917569 -1.451475 0.520235
C 2.701641 -1.941085 -0.845745
C -0.975978 -3.085150 -0.662557
C 2.008406 -4.018133 0.901211
C -2.491642 -2.614014 1.167553
C 2.694594 -3.263529 -1.296361
C -1.521157 -3.431220 0.578347
C 2.354133 -4.303155 -0.424002
H 0.405442 0.368457 -1.062375
H -1.060708 0.348797 0.856237
H -1.826949 2.518930 -1.205830
H -0.713799 2.305565 -2.611582
H 1.460917 2.063012 1.519374
H 0.319854 1.443077 2.779658
H -3.624467 -0.145374 -2.205631
H -3.294096 0.870730 -0.746906
H 3.330414 -0.105615 1.653472
H 2.501028 0.490686 0.165424
H 4.182221 3.338499 -1.340109
H 3.209869 4.477255 -2.265153
H 2.780485 4.100678 -0.607469
H -4.067714 4.108974 1.612235
H -3.001996 4.528186 2.949523
H -2.411057 4.596159 1.299502
H -0.984552 -1.649044 -2.285722
H 1.735052 -2.462968 2.386241
H -3.659987 -0.800345 0.990928
H 2.959957 -1.126613 -1.531677
H -0.206245 -3.711514 -1.113000
H 1.733495 -4.824423 1.577773
H -2.911281 -2.878172 2.136320
H 2.954786 -3.483098 -2.330102
H -1.182328 -4.330255 1.088059
H 2.356779 -5.331958 -0.776528


%chk=000258839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258839

0 1
S 1.853908 1.666053 -1.862949
S -2.466526 2.938699 2.647241
O 0.701233 2.382689 -0.567523
O -0.702749 2.856710 1.971095
O -1.541439 1.589134 -2.161524
O 1.474026 -0.081875 1.631348
O 1.512613 0.099240 -2.125205
O 3.345739 2.085964 -1.408112
O -2.829787 1.486572 3.272241
O -3.455091 3.621796 1.563570
C -0.323932 1.443009 -0.058897
C -0.300017 1.520482 1.479175
C -1.671361 1.790428 -0.702802
C 1.109248 1.274112 2.052720
C -2.623904 0.786800 -2.771459
C 2.944568 -0.308803 1.639449
C 1.240312 2.714218 -3.317976
C -2.048347 4.193264 4.004020
C -2.679716 -0.649595 -2.269262
C 3.199932 -1.749751 1.257418
C -1.491585 -1.418160 -2.152817
C 3.708126 -2.668611 2.207946
C -3.921591 -1.238955 -1.926521
C 2.932075 -2.195576 -0.063248
C -1.551839 -2.753993 -1.700221
C 3.951880 -4.014898 1.850294
C -3.983200 -2.582050 -1.486967
C 3.170326 -3.541170 -0.419151
C -2.797042 -3.341919 -1.371223
C 3.682610 -4.453927 0.533977
H -0.037527 0.407566 -0.332467
H -0.987208 0.748241 1.888673
H -2.458648 1.131028 -0.286067
H -1.944519 2.843933 -0.515220
H 1.813609 2.027680 1.647709
H 1.076863 1.346111 3.159020
H -2.382762 0.820963 -3.849771
H -3.601295 1.290135 -2.618845
H 3.345522 -0.094172 2.652449
H 3.408045 0.395388 0.915684
H 1.475916 3.752518 -3.048870
H 1.785049 2.365637 -4.206568
H 0.158148 2.513560 -3.338701
H -3.001055 4.450667 4.487048
H -1.347617 3.685706 4.678480
H -1.589899 5.046143 3.486604
H -0.524434 -0.961516 -2.396631
H 3.910563 -2.331242 3.232289
H -4.843037 -0.647108 -1.999436
H 2.531742 -1.490986 -0.801911
H -0.626983 -3.332652 -1.596406
H 4.347669 -4.716166 2.593705
H -4.949346 -3.027271 -1.223943
H 2.964822 -3.877264 -1.442189
H -2.840019 -4.378691 -1.018961
H 3.871232 -5.496496 0.252688


