%chk=000290027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290027

0 1
S 1.016130 0.774026 -0.801935
O 0.046149 1.037184 -1.852057
O 1.959810 1.798450 -0.425314
O -0.497709 -1.893522 -0.063569
O 3.426614 -0.862593 0.435366
O 4.306678 -0.618822 -1.640280
C 0.042586 0.306584 0.639230
C -0.655976 1.575106 1.118038
C 0.965957 -0.234370 1.726266
C -0.935506 -0.798083 0.223067
C 1.899608 -0.678317 -1.314519
C -2.390683 -0.479078 0.147032
C 3.335020 -0.691333 -0.933268
C -2.868726 0.288419 -0.924697
C -3.268723 -0.980031 1.115740
C -4.236024 0.558547 -1.018661
C -4.634624 -0.698622 1.017013
C -5.117426 0.068593 -0.048477
C 4.763975 -0.826699 1.005755
H -1.281715 2.037932 0.339536
H 0.067649 2.334933 1.453457
H -1.317588 1.369222 1.971045
H 1.407163 -1.209488 1.460622
H 1.803625 0.450936 1.933509
H 0.429343 -0.375102 2.673706
H 1.397298 -1.616646 -0.944208
H 1.820086 -0.793797 -2.426663
H -2.171557 0.671065 -1.683448
H -2.892602 -1.589931 1.936086
H -4.614131 1.151067 -1.851468
H -5.323219 -1.083159 1.767907
H -6.183126 0.282557 -0.125007
H 5.455942 -1.420030 0.397684
H 4.617177 -1.260305 1.999716
H 5.087521 0.218705 1.056096


%chk=000290027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290027

0 1
S 1.055131 0.841220 -0.640588
O 0.055386 1.358173 -1.827950
O 2.323031 1.776471 -0.210366
O -0.591729 -1.786248 1.041813
O 3.596381 -1.185004 0.230267
O 4.011822 -0.848342 -2.044474
C -0.095481 0.576361 1.117926
C -0.713856 1.961204 1.313082
C 0.970869 0.238931 2.158611
C -1.027963 -0.611189 0.814777
C 1.713768 -0.962997 -1.195515
C -2.433667 -0.424655 0.333073
C 3.213257 -0.988957 -1.092957
C -2.804400 0.520670 -0.663537
C -3.415817 -1.313290 0.856379
C -4.142779 0.580311 -1.107785
C -4.754765 -1.227062 0.428781
C -5.122491 -0.276594 -0.554451
C 5.056702 -1.118778 0.488696
H -1.262930 2.326928 0.433030
H 0.074041 2.692744 1.561954
H -1.426598 1.917112 2.158687
H 1.397239 -0.764860 2.011659
H 1.777812 0.991841 2.130136
H 0.504361 0.268015 3.162459
H 1.209640 -1.654851 -0.504129
H 1.356663 -1.025544 -2.231993
H -2.042356 1.146549 -1.141565
H -3.109768 -2.061556 1.595020
H -4.417665 1.291973 -1.893612
H -5.507998 -1.900958 0.850789
H -6.162230 -0.213303 -0.894377
H 5.582431 -1.881714 -0.108961
H 5.160017 -1.312126 1.564932
H 5.432941 -0.117076 0.223489


