%chk=000249655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249655

0 1
S 4.964186 -1.209555 0.223485
O -1.349552 -0.433572 0.323879
O 3.487234 -0.813452 -0.572670
O -4.192935 2.223645 -1.019149
O 5.776763 -0.027814 0.185824
O 4.600172 -1.807015 1.469929
C -1.018856 0.858148 -0.081158
C 0.440326 1.045014 0.060231
C -3.697902 0.054466 -0.184003
C -2.690935 -0.808650 0.265511
C -1.926437 1.745188 -0.528070
C 1.311305 0.003742 -0.279512
C -3.361934 1.432966 -0.621963
C 2.692106 0.224338 -0.151591
C 0.939586 2.270201 0.532663
C -5.020745 -0.427898 -0.202478
C -2.945891 -2.122214 0.695475
C 3.213999 1.442315 0.305105
C 2.320111 2.458084 0.650813
C -5.299104 -1.724825 0.216998
C -4.263585 -2.566695 0.664731
C 5.476689 -2.384900 -0.935858
H -1.641440 2.746372 -0.855886
H 0.939450 -0.957909 -0.632876
H 0.254277 3.070823 0.810524
H -5.814842 0.239800 -0.552205
H -2.129353 -2.752533 1.040418
H 4.294800 1.604911 0.381515
H 2.707018 3.411696 1.014813
H -6.322854 -2.095127 0.201958
H -4.499225 -3.580850 0.992366
H 4.753738 -2.518970 -1.763613
H 6.429826 -2.130679 -1.429884
H 5.613103 -3.393951 -0.511423


%chk=000249655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249655

0 1
S 4.525412 -1.551673 0.657258
O -1.262434 -0.434492 -0.057430
O 3.621942 -0.634586 -0.879243
O -4.328711 2.388030 0.282285
O 5.482379 -0.497815 1.436478
O 3.473299 -2.463457 1.489067
C -0.978176 0.938954 -0.037230
C 0.473400 1.204968 -0.153627
C -3.673731 0.052493 0.159204
C -2.600670 -0.867643 0.042194
C -1.985473 1.874451 0.071826
C 1.375108 0.142148 -0.409283
C -3.402328 1.516250 0.180244
C 2.761520 0.405721 -0.544804
C 0.989513 2.525513 -0.010472
C -4.993015 -0.461819 0.255116
C -2.807710 -2.263150 0.022837
C 3.272900 1.722423 -0.389020
C 2.373007 2.775615 -0.126267
C -5.221094 -1.848101 0.235649
C -4.125431 -2.747894 0.120242
C 5.552854 -2.638245 -0.512340
H -1.748772 2.940360 0.071123
H 1.012309 -0.883018 -0.513908
H 0.315895 3.360150 0.205718
H -5.810511 0.261180 0.344509
H -1.949058 -2.935285 -0.062296
H 4.349929 1.893076 -0.478147
H 2.749657 3.796137 -0.004221
H -6.240648 -2.239511 0.310906
H -4.304049 -3.828297 0.108298
H 4.825906 -3.203663 -1.108989
H 6.144460 -1.943889 -1.122034
H 6.171420 -3.279834 0.130255


