$title
(HO)3-Si-O-Al(OH)2-O-Si(OH)3-Anion    DZP/TZP  Cs
$operating system unix
$path
$symmetry cs
$coord                     file=coord
$intdef                    file=coord
$grad                      file=grad
$scfmo                     file=mo
$vibrational spectrum      file=spectrum
$vibrational normal modes  file=spectrum
$atoms
si 1,15                                                                        \
   basis =si dzp
al 2                                                                           \
   basis =al dzp
o  3-9,16-18                                                                   \
   basis =o tzp
h  10-14,19-21                                                                 \
   basis =h dzp
$basis
*
si dzp
*
   5  s
  26737.389     0.10391170E-02
  4076.3786     0.77377140E-02
  953.29315     0.37756357E-01
  274.58441     0.13727615
  90.681987     0.33903718
   2  s
  33.529057     0.43525615
  13.457629     0.18495430
   1  s
  4.0506916     0.52878370
   1  s
  1.4841839     0.59132648
   1  s
 0.27044323     0.55437604
   1  s
 0.99321610E-01 0.60891466
   4  p
  163.73270     0.11657257E-01
  38.352081     0.78802079E-01
  12.021114     0.26728008
  4.1845733     0.47480476
   1  p
  1.4827170     0.36058697
   1  p
 0.33498569     0.45277234
   1  p
 0.96993840E-01 0.66484761
   1  d
 0.40000000     0.00000000E+00
*
al dzp
*
   5  s
  23491.082     0.10159500E-02
  3547.6323     0.76897020E-02
  823.47199     0.37631829E-01
  237.67938     0.13604661
  78.602059     0.33655292
   2  s
  29.049906     0.43591151
  11.623812     0.18829591
   1  s
  3.4653431     0.50825250
   1  s
  1.2331429     0.61089802
   1  s
 0.20181005     0.44688917
   1  s
 0.78047970E-01 0.68634016
   4  p
  141.51036     0.10997308E-01
  33.217629     0.73983271E-01
  10.393014     0.25302332
  3.5925839     0.46402709
   1  p
  1.2421020     0.38715641
   1  p
 0.30402357     0.31189693
   1  p
 0.76289140E-01 0.80425817
   1  d
 0.30000000     0.00000000E+00
*
o tzp
*
   5  s
  8046.1590     0.11346040E-02
  1211.9849     0.86365429E-02
  279.52491     0.42297866E-01
  80.932996     0.14760311
  26.934270     0.35147639
   1  s
  9.8393320     0.43765480
   1  s
  3.8340374     0.16082640
   1  s
 0.95681143     -.58614163
   1  s
 0.28899604     -.53732839
   3  p
  34.906614     0.15617689E-01
  7.8465639     0.98281028E-01
  2.3049855     0.30849364
   1  p
 0.72205670     0.49175599
   1  p
 0.21525878     0.33923261
   1  d
  1.2000000     0.00000000E+00
*
h dzp
*
   3  s
  13.361500     0.19060000E-01
  2.0133000     0.13424000
 0.45375700     0.47449000
   1  s
 0.12331700     0.50907000
   1  p
 0.80000000     0.00000000E+00
*
$rundimensions
   dim(fock,dens)=49173
   natoms=21
   nshell=147
   nbf(CAO)=312
   nbf(AO)=299
   dim(trafo[SAO<-->AO/CAO])=500
   rhfshells=1
$closed shells
 a'      1-43                                   ( 2 )
 a"      1-22                                   ( 2 )
$end
