%chk=000262772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262772

0 1
S -1.063466 0.454778 1.023463
O -3.429376 0.160970 1.972787
O -3.529652 -1.463649 0.389393
C 0.384358 0.226879 -0.114509
C 1.085676 -0.899353 0.626772
C -0.101893 -0.158926 -1.492192
C 1.203940 1.502344 -0.118789
C -2.379421 1.279334 0.068305
C 1.410025 -0.725343 1.985689
C 0.443023 0.435427 -2.640725
C 2.603806 1.437529 -0.010392
C 1.418318 -2.106151 -0.005119
C -1.097642 -1.141531 -1.642887
C 0.595572 2.758360 -0.269398
C -3.597359 1.206390 0.974795
C 2.024697 -1.755409 2.700412
C -0.009138 0.068857 -3.912320
C 3.372804 2.603756 -0.024153
C 2.039275 -3.132020 0.714112
C -1.547850 -1.503140 -2.913662
C 1.366905 3.923674 -0.281817
C 2.338005 -2.963283 2.068385
C -1.006584 -0.898607 -4.053232
C 2.757072 3.851593 -0.155909
C -3.327783 -1.151313 1.538949
C -3.003906 -2.012184 2.708430
H -2.092087 2.320169 -0.176314
H -2.554456 0.749019 -0.890863
H 1.198523 0.220706 2.489817
H 1.228327 1.187898 -2.555461
H 3.103175 0.472130 0.085540
H 1.199875 -2.256193 -1.063589
H -1.540550 -1.628590 -0.765674
H -0.487571 2.844217 -0.380498
H -3.716672 2.096415 1.622116
H -4.526324 1.005643 0.410521
H 2.264447 -1.614148 3.753075
H 0.421601 0.540427 -4.793885
H 4.455797 2.537550 0.067821
H 2.290053 -4.065571 0.212812
H -2.327183 -2.258441 -3.012601
H 0.880696 4.891751 -0.390169
H 2.816644 -3.764498 2.627420
H -1.359963 -1.181919 -5.042432
H 3.355525 4.759990 -0.162305
H -3.641236 -2.908001 2.729379
H -1.954762 -2.352390 2.649752
H -3.115565 -1.479747 3.666349


%chk=000262772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262772

0 1
S -0.894023 0.001280 1.265530
O -3.971839 0.314773 1.849437
O -5.310731 -0.205326 0.008959
C 0.645107 0.011581 0.044597
C 1.672960 -0.933345 0.716246
C 0.108783 -0.507079 -1.302458
C 1.304343 1.411450 -0.051201
C -2.190201 0.878563 0.190467
C 1.958753 -0.791053 2.100100
C -0.003545 0.324095 -2.444762
C 2.456089 1.554420 -0.874700
C 2.430965 -1.866968 -0.035218
C -0.382980 -1.839483 -1.391603
C 0.857352 2.540317 0.674438
C -3.329187 1.405527 1.062487
C 2.950948 -1.578612 2.720114
C -0.569508 -0.163820 -3.646665
C 3.127085 2.789920 -0.976392
C 3.432100 -2.650159 0.582950
C -0.944724 -2.328186 -2.587408
C 1.528568 3.782110 0.573883
C 3.694805 -2.514341 1.963892
C -1.039090 -1.491720 -3.726770
C 2.664032 3.915262 -0.253617
C -4.944760 -0.444615 1.181436
C -5.443260 -1.555896 2.077268
H -1.700009 1.730104 -0.312826
H -2.558956 0.174673 -0.571087
H 1.402557 -0.056621 2.693643
H 0.351949 1.358141 -2.403011
H 2.836539 0.689004 -1.428595
H 2.238973 -1.989017 -1.106020
H -0.342826 -2.481260 -0.505037
H -0.002582 2.432583 1.344466
H -2.971409 2.109186 1.830962
H -4.094556 1.882135 0.422433
H 3.148068 -1.457838 3.791295
H -0.647113 0.500134 -4.515047
H 4.014894 2.873431 -1.613478
H 4.005468 -3.365646 -0.017505
H -1.318709 -3.357338 -2.630128
H 1.165089 4.640875 1.149866
H 4.468605 -3.124345 2.443205
H -1.481462 -1.868927 -4.655473
H 3.186669 4.875344 -0.328959
H -6.331340 -2.024761 1.629627
H -4.650173 -2.315769 2.196423
H -5.680017 -1.167387 3.081433


