%chk=000261134.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261134

0 1
S 4.638863 2.025585 -0.728392
O -0.438821 0.557823 1.422746
O -2.768917 0.483298 -0.910811
O -2.500931 1.582158 1.096492
O -0.174635 -1.998422 -0.606232
O 2.500412 1.105307 0.483229
O 3.537822 -0.350480 -0.866953
O -1.245647 -2.599869 1.308505
C -2.059991 -0.425716 -0.064767
C -0.643325 -0.635554 -0.647392
C 0.255508 0.332054 0.164837
C -1.845464 0.335820 1.276218
C 1.660077 -0.109377 0.574468
C -2.851025 1.811772 -0.292947
C 2.394229 -1.103610 -0.339968
C -4.297751 2.247091 -0.338226
C -1.852486 2.741286 -0.948019
C 3.540106 0.908365 -0.363268
C -0.499907 -2.889417 0.410117
C 0.206735 -4.165836 0.128958
H -2.675924 -1.342654 -0.009231
H -0.614484 -0.432626 -1.745019
H 0.297499 1.334529 -0.349899
H -2.185167 -0.081534 2.238127
H 1.683857 -0.377743 1.658355
H 2.826669 -1.965655 0.192558
H 1.832753 -1.440920 -1.230158
H -4.580105 2.629386 -1.326384
H -4.970173 1.407861 -0.106717
H -4.492315 3.032489 0.406275
H -0.816599 2.506056 -0.650462
H -1.912473 2.685480 -2.042060
H -2.026475 3.785212 -0.651895
H 0.885610 -4.432275 0.955986
H 0.795696 -4.139691 -0.802415
H -0.515919 -4.996093 0.034943


%chk=000261134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261134

0 1
S 5.113944 1.885909 0.270879
O -0.341342 0.534866 1.296023
O -2.421716 0.711729 -1.120666
O -2.571682 1.547561 1.096668
O -0.166937 -2.201669 -0.472008
O 2.583900 0.955145 0.644457
O 3.852567 -0.251921 -0.839352
O -1.417978 -2.556603 1.481621
C -2.008114 -0.376649 -0.208920
C -0.602916 -0.791779 -0.703191
C 0.317230 0.240518 0.009149
C -1.798658 0.326769 1.162240
C 1.738747 -0.238548 0.290630
C -2.863457 1.901549 -0.319180
C 2.481229 -0.833000 -0.931773
C -4.375412 2.082105 -0.456852
C -2.041524 3.115738 -0.755094
C 3.833808 0.853153 0.024096
C -0.600228 -2.963197 0.633113
C 0.074930 -4.316444 0.612828
H -2.751402 -1.187255 -0.191433
H -0.559482 -0.704436 -1.798711
H 0.367051 1.153139 -0.619355
H -2.115013 -0.216812 2.058599
H 1.747490 -0.904793 1.169327
H 2.574345 -1.925830 -0.893958
H 2.047829 -0.518611 -1.897553
H -4.634658 2.339042 -1.498044
H -4.898085 1.152963 -0.175952
H -4.718552 2.894006 0.207004
H -0.974177 2.966948 -0.524255
H -2.160044 3.284650 -1.839187
H -2.386777 4.014048 -0.215872
H 1.130354 -4.214483 0.925333
H 0.068538 -4.741912 -0.403572
H -0.436503 -4.991794 1.313560


