title siosi6
memory stack 230 mb heap 180 mb  global 90 mb
set dft:reorth logical .false.
start siosi6
geometry units au noautoz noautosym noprint
O .0000000 .0000000 .0000000 
Si 2.9045097 -.8069132 .0491329 
Si -2.8648254 -.9373044 .0151178 
O 3.5016632 -2.1127143 2.6777425 
O 3.4827660 -2.6966397 -2.1731855 
O 4.5088875 1.7574457 -.1908624 
O -3.4298536 -2.2695616 2.6380582 
O -3.3296981 -2.8515973 -2.2128698 
O -4.5825868 1.5514655 -.2456644 
Si 4.5731382 -4.3369224 4.3955039 
Si 4.6279402 -4.0534634 -4.5788074 
Si 7.0354518 3.0953720 -1.1262770 
Si -4.4219601 -4.5410128 4.3425915 
Si -4.3822758 -4.2594436 -4.6336094 
Si -7.1545046 2.7722288 -1.2094250 
O 3.4695379 -6.9825395 3.5545756 
O 7.5267807 -4.3917244 4.1687367 
O 3.6981948 -3.7643352 7.2206450 
O 3.6358338 -2.7155370 -7.0694669 
O 3.7529969 -6.9220682 -4.6751834 
O 7.6023698 -3.9608668 -4.4465265 
O 9.3957203 1.5930395 -.1266117 
O 7.0619080 5.8562625 .0434637 
O 7.1280484 3.2182043 -4.0893682 
O -3.1917481 -7.1337176 3.5148913 
O -7.3680437 -4.7318752 4.0799196 
O -3.6093777 -3.9306312 7.1771813 
O -3.4241845 -2.8761638 -7.1129306 
O -3.3750516 -7.0845847 -4.7167574 
O -7.3604848 -4.3010176 -4.5353436 
O -7.3189108 5.5293398 -.0415740 
O -7.2168656 2.8931713 -4.1744059 
O -9.4543018 1.1659613 -.2381055 
Si 3.0991515 -9.6848484 2.3753862 
Si 10.4955411 -4.1120449 4.4011731 
Si 2.9630912 -4.7243163 9.9720868 
Si 2.9763193 -.4157398 -8.8571482 
Si 3.1445049 -9.5922518 -3.4884352 
Si 10.5616815 -3.8229168 -4.5202258 
Si 11.6293770 -.3836145 .1303911 
Si 8.1636186 8.6738447 .0623610 
Si 7.0014368 3.3372570 -7.0600183 
Si -2.6834117 -9.8171293 2.3413712 
Si -10.3481424 -4.5863663 4.2764511 
Si -2.8629357 -4.8584869 9.9380718 
Si -2.8497076 -.5480207 -8.8930530 
Si -2.6607349 -9.7245327 -3.5224502 
Si -10.3197965 -4.2972381 -4.6430581 
Si -8.5491228 8.2940097 -.0359048 
Si -7.0600183 3.0160035 -7.1431662 
Si -11.6010311 -.9108482 -.0075589 
O 3.7813428 -9.5828032 -.5480207 
O 4.8490383 -11.7144147 3.7284304 
O .2229877 -10.5522329 2.7986850 
O 11.8315777 -6.5875867 3.3845002 
O 11.4630811 -1.7593354 2.8043542 
O 11.3308002 -3.5848112 7.2546601 
O 3.5186708 -2.4736520 11.8561442 
O 4.5599101 -7.1507252 10.7090802 
O .0642507 -5.4726480 10.0703526 
O 4.4616443 2.0484635 -8.0162199 
O 3.7529969 -1.2226531 -11.6482743 
O .0472432 .1946418 -8.7305365 
O 4.8169129 -11.6803996 -4.8811636 
O .2588925 -10.3235760 -4.0024408 
O 11.5084345 -2.3602684 -6.9598628 
O 11.7881140 -6.5875867 -4.6203813 
O 11.5500085 -2.4169602 -2.0749197 
O 14.2617661 1.0790338 .0925966 
O 11.1248200 8.6757345 -.0132281 
O 7.1526149 9.9872047 2.5624692 
O 7.1072614 10.1364931 -2.3205842 
O 7.0108854 6.1983030 -7.9538589 
O 9.3446976 1.9048443 -8.2410974 
O -3.3315879 -9.7434299 -.5914844 
O -4.3539299 -11.9222846 3.6736284 
O -11.5575674 -7.1185998 3.2465502 
O -11.4026098 -2.2790102 2.6701836 
O -11.2400933 -4.0988168 7.1204895 
O -3.5413475 -2.6342788 11.8145702 
O -4.3577094 -7.3529259 10.6561679 
O -4.4559751 1.8462628 -8.0691322 
O -3.5545756 -1.3889490 -11.6917380 
O -4.2216490 -11.8863798 -4.9340759 
O -11.3043440 -2.8780535 -7.0940334 
O -11.4215071 -7.1148204 -4.7583314 
O -11.4026098 -2.9404145 -2.2109800 
O -7.6288260 9.6508333 2.4736520 
O -7.5305602 9.8039012 -2.4075116 
O -11.5046551 8.1617288 -.1473987 
O -7.1904094 5.8751598 -8.0388966 
O -9.3239107 1.4796559 -8.3525912 
O -14.2938914 .4289679 -.0755891 
Si 11.5802441 .0037795 -8.7928975 
H 6.5989250 -12.5553430 3.8739394 
H 11.9222846 -8.4168419 2.7249856 
H 11.4895372 -4.3369224 9.0423414 
H 4.1233833 -1.6459518 13.5115446 
H 6.2436564 -7.9349617 11.2948954 
H 4.2991278 -.7502214 -13.4548528 
H 6.5573510 -12.5458944 -4.9435246 
H 11.8882695 -8.4073933 -3.9381901 
H 15.2746595 2.5114465 -.7445522 
H 13.0693486 8.7003009 .0736993 
H 7.0354518 11.4687503 3.8210270 
H 6.9957676 11.5103242 -3.6925256 
H 7.8064603 7.8726007 -8.5453433 
H -6.0641324 -12.8444712 3.8002400 
H -11.5594571 -8.9497448 2.5851459 
H -11.3856023 -4.8565972 8.9062811 
H -4.2027518 -1.8349245 13.4624117 
H -6.0074406 -8.2146412 11.2211961 
H -4.0988168 -.9410838 -13.5039857 
H -5.9224029 -12.8312431 -5.0172239 
H -11.4460735 -8.9384064 -4.0761401 
H -7.5948109 11.1361584 3.7340996 
H -7.4663095 11.1815118 -3.7775633 
H -13.4491836 8.0955884 -.0831480 
H -8.0540144 7.5116629 -8.6398297 
H -15.3634766 1.8141375 -.9278557 
H 11.4233968 -.5555796 -10.7695514 
H 13.3358001 1.0658058 -8.6058146 
Si -11.4630811 -.5215645 -8.9289578 
H -13.2677699 .4592035 -8.7607721 
H -11.2571009 -1.0733647 -10.9037220 
end
dft
  noio
  convergence nolevelshifting diis 6
noprint "final vectors analysis" multipole
tolerances acccoul 10
end
set tolguess 1d-5
 
basis "ao basis" cartesian noprint segment
H  library "DZVP2 (DFT Orbital)"
O  library "DZVP (DFT Orbital)"
Si library "DZVP (DFT Orbital)"
end

basis "cd basis" cartesian noprint segment
H  library "DGauss A2 DFT Coulomb Fitting"
O  library "DGauss A1 DFT Coulomb Fitting"
Si library "DGauss A1 DFT Coulomb Fitting"
end
#uncomment the following line in a cluster environment
#set dft:xcreplicated t

task dft