%chk=000253984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253984

0 1
S 0.478514 -0.308993 -1.128212
O -1.992664 -0.453549 1.017642
O -0.250692 3.130920 0.407419
O -2.715284 0.785354 -0.740028
O 0.134088 2.509724 -1.745556
C -0.368605 0.848153 -0.016634
C -1.818422 0.438535 -0.016906
C -0.133295 2.217600 -0.611618
C 1.344854 -1.373758 -0.024681
C 0.689122 -2.044656 1.009112
C 2.704222 -1.574525 -0.278805
C -3.312433 -1.075892 1.165589
C -0.061312 4.548713 0.085358
C 1.413351 -2.935612 1.807179
C 3.416938 -2.477297 0.517815
C 2.773525 -3.153985 1.559786
C -3.481117 -2.166639 0.131051
C 1.410981 4.845085 -0.098987
H 0.043632 0.809491 1.030879
H -0.376973 -1.878099 1.197637
H 3.209916 -1.038926 -1.083895
H -4.081478 -0.286764 1.085303
H -3.243531 -1.456031 2.201064
H -0.495683 5.019790 0.986435
H -0.661695 4.784170 -0.811464
H 0.915959 -3.462830 2.619831
H 4.475498 -2.648818 0.327794
H 3.333154 -3.852534 2.180685
H -2.632239 -2.862831 0.129090
H -3.550558 -1.746142 -0.884875
H -4.392998 -2.749976 0.305748
H 1.805181 4.358435 -1.004946
H 2.007258 4.482694 0.748174
H 1.593786 5.921592 -0.200383


%chk=000253984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253984

0 1
S 0.523842 -0.527635 -1.302895
O -2.022377 -0.467714 0.971452
O -0.303513 3.064566 0.368682
O -2.675967 0.979660 -0.743382
O 0.276160 2.503722 -1.825890
C -0.285040 0.753060 -0.142702
C -1.784024 0.467711 -0.034391
C -0.053455 2.172867 -0.672101
C 1.482654 -1.548999 -0.095953
C 0.949472 -1.975347 1.143703
C 2.781232 -1.948884 -0.494869
C -3.438789 -0.944663 1.110727
C -0.207039 4.523438 0.034538
C 1.734092 -2.790041 1.992295
C 3.545907 -2.784888 0.350369
C 3.028698 -3.202139 1.598775
C -3.719738 -2.084843 0.129400
C 1.233023 5.016947 0.193071
H 0.185837 0.640559 0.845969
H -0.067012 -1.689092 1.433210
H 3.192479 -1.600131 -1.448162
H -4.110000 -0.085294 0.938775
H -3.496289 -1.269966 2.161490
H -0.893173 4.996433 0.754668
H -0.574805 4.667338 -0.996269
H 1.323457 -3.113743 2.955391
H 4.549524 -3.093909 0.037990
H 3.627829 -3.840610 2.257141
H -3.007544 -2.915626 0.271475
H -3.651634 -1.731642 -0.912927
H -4.742174 -2.471862 0.295632
H 1.897408 4.530828 -0.540669
H 1.610490 4.813444 1.209925
H 1.271472 6.108854 0.022131


