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Hydrogen

H:PVDZ-X2C
recontracted with X2C

  2
    0    1    2    3    4    5    6    7
    2    1    0    0    0    0    0    0
    4    1    0    0    0    0    0    0

         13.01000000          1.96200000          0.44460000          0.12200000

   0.01969795   0.00000000
   0.13799097 	0.00000000
   0.47815381 	0.00000000
   0.50122002 	1.00000000

          0.72700000

   1.00000000

H:APVDZ-X2C
recontracted with X2C

  2
    0    1    2    3    4    5    6    7
    3    2    0    0    0    0    0    0
    5    2    0    0    0    0    0    0

         13.01000000          1.96200000          0.44460000          0.12200000           0.0297400

   0.01969795   0.00000000   0.00000000
   0.13799097   0.00000000   0.00000000
   0.47815381   0.00000000   0.00000000
   0.50122002   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          0.72700000          0.1410000

   1.00000000   0.00000000
   0.00000000   1.00000000

H:PVTZ-X2C
recontracted with X2C

  3
    0    1    2    3    4    5    6    7
    3    2    1    0    0    0    0    0
    5    2    1    0    0    0    0    0

         33.87000000          5.09500000          1.15900000          0.32580000          0.10270000

   0.00607729   0.00000000   0.00000000
   0.04531797 	0.00000000   0.00000000
   0.20283562 	0.00000000   0.00000000
   0.50390186 	1.00000000   0.00000000
   0.38340398 	0.00000000   1.00000000

          1.40700000          0.38800000

   1.00000000   0.00000000
   0.00000000   1.00000000

          1.05700000

  1.000000000

H:APVTZ-X2C
recontracted with X2C

  3
    0    1    2    3    4    5    6    7
    4    3    2    0    0    0    0    0
    6    3    2    0    0    0    0    0

         33.87000000          5.09500000          1.15900000          0.32580000          0.10270000
          0.0252600

   0.00607729   0.00000000   0.00000000   0.00000000
   0.04531797   0.00000000   0.00000000   0.00000000
   0.20283562   0.00000000   0.00000000   0.00000000
   0.50390186   1.00000000   0.00000000   0.00000000
   0.38340398   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

          1.40700000          0.38800000          0.1020000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          1.05700000          0.2470000

   1.00000000   0.00000000
   0.00000000   1.00000000

H:PVQZ-X2C
recontracted with X2C

  4
    0    1    2    3    4    5    6    7
    4    3    2    1    0    0    0    0
    6    3    2    1    0    0    0    0

         82.64000000         12.41000000          2.82400000          0.79770000          0.25810000
          0.08989000

   0.00201306   0.00000000   0.00000000   0.00000000
   0.01535048   0.00000000   0.00000000   0.00000000
   0.07559140   0.00000000   0.00000000   0.00000000
   0.25688545   1.00000000   0.00000000   0.00000000
   0.49736244   0.00000000   1.00000000   0.00000000
   0.29611847   0.00000000   0.00000000   1.00000000

          2.29200000          0.83800000          0.29200000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          2.06200000          0.66200000

   1.00000000   0.00000000
   0.00000000   1.00000000

          1.39700000

   1.00000000

H:APVQZ-X2C
recontracted with X2C

  4
    0    1    2    3    4    5    6    7
    5    4    3    2    0    0    0    0
    7    4    3    2    0    0    0    0

         82.64000000         12.41000000          2.82400000          0.79770000          0.25810000
          0.08989000          0.0236300

   0.00201306   0.00000000   0.00000000   0.00000000   0.00000000
   0.01535048   0.00000000   0.00000000   0.00000000   0.00000000
   0.07559140   0.00000000   0.00000000   0.00000000   0.00000000
   0.25688545   1.00000000   0.00000000   0.00000000   0.00000000
   0.49736244   0.00000000   1.00000000   0.00000000   0.00000000
   0.29611847   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          2.29200000          0.83800000          0.29200000          0.0848000

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

          2.06200000          0.66200000          0.1900000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          1.39700000          0.3600000

   1.00000000   0.00000000
   0.00000000   1.00000000

H:PV5Z-X2C
recontracted with X2C

  5
    0    1    2    3    4    5    6    7
    5    4    3    2    1    0    0    0
    8    4    3    2    1    0    0    0

        402.00000000         60.24000000         13.73000000          3.90500000          1.28300000
          0.46550000          0.18110000          0.07279000

   0.00028354   0.00000000   0.00000000   0.00000000   0.00000000   
   0.00216933   0.00000000   0.00000000   0.00000000   0.00000000
   0.01120811   0.00000000   0.00000000   0.00000000   0.00000000
   0.04488655   0.00000000   0.00000000   0.00000000   0.00000000
   0.14230952   1.00000000   0.00000000   0.00000000   0.00000000
   0.33098270   0.00000000   1.00000000   0.00000000   0.00000000
   0.43625788   0.00000000   0.00000000   1.00000000   0.00000000
   0.17643116   0.00000000   0.00000000   0.00000000   1.00000000

          4.51600000          1.71200000          0.64900000          0.24600000

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

          2.95000000          1.20600000          0.49300000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          2.50600000          0.87500000

   1.00000000   0.00000000
   0.00000000   1.00000000

          2.35800000

   1.00000000

H:APV5Z-X2C
recontracted with X2C

  5
    0    1    2    3    4    5    6    7
    6    5    4    3    2    0    0    0
    9    5    4    3    2    0    0    0

        402.00000000         60.24000000         13.73000000          3.90500000          1.28300000
          0.46550000          0.18110000          0.07279000          0.0207000

   0.00028354   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00216933   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.01120811   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.04488655   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.14230952   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.33098270   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.43625788   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.17643116   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          4.51600000          1.71200000          0.64900000          0.24600000          0.0744000 

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          2.95000000          1.20600000          0.49300000          0.1560000

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

          2.50600000          0.87500000          0.2740000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          2.35800000          0.5430000

   1.00000000   0.00000000
   0.00000000   1.00000000

H:PV6Z-X2C
recontracted with X2C

  6
    0    1    2    3    4    5    6    7
    6    5    4    3    2    1    0    0
   10    5    4    3    2    1    0    0

       1776.77556000        254.01771200         54.69803900         15.01834400          4.91507800
          1.79492400          0.71071600          0.30480200          0.13804600          0.06215700

   0.00004685   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00037450 	0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00209796 	0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00886868 	0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.03054748 	0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.09035128 	1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.21324610 	0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.35234847 	0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.33964530 	0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.10732350 	0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          8.64900000          3.43000000          1.36000000          0.53900000          0.21400000

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000 

          4.45300000          1.95800000          0.86100000          0.37800000

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

          4.10000000          1.78000000          0.77300000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          3.19900000          1.32600000

   1.00000000   0.00000000
   0.00000000   1.00000000 

          2.65300000

   1.00000000

H:APV6Z-X2C
recontracted with X2C

  6
    0    1    2    3    4    5    6    7
    7    6    5    4    3    2    0    0
   11    6    5    4    3    2    0    0

       1776.77556000        254.01771200         54.69803900         15.01834400          4.91507800
          1.79492400          0.71071600          0.30480200          0.13804600          0.06215700
          0.0189000

   0.00004685   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00037450   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00209796   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00886868   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.03054748   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.09035128   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.21324610   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.35234847   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.33964530   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.10732350   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          8.64900000          3.43000000          1.36000000          0.53900000          0.21400000
          0.0670000

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          4.45300000          1.95800000          0.86100000          0.37800000          0.1260000

   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000

          4.10000000          1.78000000          0.77300000          0.2450000

   1.00000000   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000

          3.19900000          1.32600000          0.4070000

   1.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000

          2.65300000          0.6820000

   1.00000000   0.00000000
   0.00000000   1.00000000
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Page last modified on February 12, 2016, at 10:20 PM
This page has been visited 147 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.