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QuAcK/basis/aug-cc-pwcvqz

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2020-01-17 13:57:03 +01:00
BORON
S 9
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P 3
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P 1
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F 1
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G 1
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CARBON
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F 1
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G 1
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NITROGEN
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P 1
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F 1
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G 1
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G 1
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OXYGEN
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S 1
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S 1
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S 1
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S 1
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P 3
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D 1
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F 1
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F 1
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F 1
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G 1
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G 1
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FLUORINE
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3 2543.0000000 0.0038580
4 721.0000000 0.0159260
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S 9
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P 1
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P 1
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P 1
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P 1
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F 1
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F 1
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G 1
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G 1
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NEON
S 9
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3 3399.0000000 0.0035180
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5 311.2000000 0.0509620
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 3
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
1 1.2240000 1.0000000
ALUMINUM
S 13
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3 14290.0000000 0.113754E-02
4 4038.0000000 0.479635E-02
5 1312.0000000 0.172389E-01
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11 5.1800000 0.293330E-01
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13 0.9664000 0.166673E-02
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5 1312.0000000 -0.455101E-02
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9 31.9000000 -0.164510E+00
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S 13
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 8
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3 68.2800000 0.212538E-01
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P 8
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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SILICON
S 13
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3 17470.0000000 0.106715E-02
4 4935.0000000 0.450597E-02
5 1602.0000000 0.162359E-01
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13 1.2500000 0.187625E-02
S 13
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S 13
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S 1
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S 1
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P 8
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P 8
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P 1
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G 1
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G 1
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PHOSPHORUS
S 13
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S 13
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S 1
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P 8
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2 324.0000000 0.360985E-02
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P 8
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2 324.0000000 -0.854499E-03
3 104.6000000 -0.457116E-02
4 39.3700000 -0.170327E-01
5 16.2600000 -0.475204E-01
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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F 1
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G 1
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G 1
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G 1
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SULFUR
S 13
1 727800.0000000 0.236025E-04
2 109000.0000000 0.183482E-03
3 24800.0000000 0.964278E-03
4 7014.0000000 0.406537E-02
5 2278.0000000 0.146973E-01
6 814.7000000 0.465081E-01
7 313.4000000 0.125508E+00
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S 13
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P 8
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P 8
1 1546.0000000 -0.113110E-03
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P 1
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P 1
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G 1
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CHLORINE
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S 1
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P 8
1 1703.0000000 0.474039E-03
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P 8
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
1 1.5510000 1.0000000
D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
1 3.3890000 1.0000000
F 1
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F 1
1 0.2170000 1.0000000
G 1
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G 1
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G 1
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ARGON
S 13
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2 142300.0000000 0.176945E-03
3 32360.0000000 0.931282E-03
4 9145.0000000 0.392860E-02
5 2970.0000000 0.142064E-01
6 1064.0000000 0.448114E-01
7 410.8000000 0.121001E+00
8 168.0000000 0.260579E+00
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10 31.6700000 0.276058E+00
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S 13
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2 142300.0000000 -0.502346E-04
3 32360.0000000 -0.264804E-03
4 9145.0000000 -0.111895E-02
5 2970.0000000 -0.408276E-02
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8 168.0000000 -0.894709E-01
9 71.9900000 -0.168054E+00
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11 12.8900000 0.102953E+00
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13 2.6780000 0.450355E+00
S 13
1 950600.0000000 0.202056E-05
2 142300.0000000 0.156851E-04
3 32360.0000000 0.828617E-04
4 9145.0000000 0.349264E-03
5 2970.0000000 0.127976E-02
6 1064.0000000 0.410365E-02
7 410.8000000 0.117789E-01
8 168.0000000 0.283868E-01
9 71.9900000 0.552406E-01
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12 5.9290000 -0.275398E+00
13 2.6780000 -0.362845E+00
S 1
1 0.9416000 1.0000000
S 1
1 0.4239000 1.0000000
S 1
1 0.1714000 1.0000000
S 1
1 5.3860000 1.0000000
S 1
1 10.8670000 1.0000000
S 1
1 21.9260000 1.0000000
S 1
1 0.0610000 1.0000000
P 8
1 1890.0000000 0.495752E-03
2 447.8000000 0.425172E-02
3 144.6000000 0.223277E-01
4 54.4600000 0.830878E-01
5 22.5100000 0.217110E+00
6 9.7740000 0.374507E+00
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8 1.9590000 0.129245E+00
P 8
1 1890.0000000 -0.138863E-03
2 447.8000000 -0.118870E-02
3 144.6000000 -0.632553E-02
4 54.4600000 -0.238813E-01
5 22.5100000 -0.649238E-01
6 9.7740000 -0.115444E+00
7 4.3680000 -0.123651E+00
8 1.9590000 0.649055E-01
P 1
1 0.8260000 1.0000000
P 1
1 0.3297000 1.0000000
P 1
1 0.1242000 1.0000000
P 1
1 4.4110000 1.0000000
P 1
1 9.5560000 1.0000000
P 1
1 20.7020000 1.0000000
P 1
1 0.0435000 1.0000000
D 1
1 0.3110000 1.0000000
D 1
1 0.7630000 1.0000000
D 1
1 1.8730000 1.0000000
D 1
1 4.5300000 1.0000000
D 1
1 12.2150000 1.0000000
D 1
1 32.9330000 1.0000000
D 1
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F 1
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F 1
1 1.3250000 1.0000000
F 1
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F 1
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F 1
1 0.2940000 1.0000000
G 1
1 1.0070000 1.0000000
G 1
1 3.8160000 1.0000000
G 1
1 0.4590000 1.0000000
BROMINE
S 18
1 16475000.0000000 0.0000034
2 2466600.0000000 0.0000267
3 561310.0000000 0.0001404
4 158990.0000000 0.0005927
5 51869.0000000 0.0021561
6 18726.0000000 0.0069959
7 7303.6000000 0.0205645
8 3029.1000000 0.0545893
9 1320.8000000 0.1275226
10 600.0300000 0.2459780
11 281.9000000 0.3436508
12 135.5400000 0.2702530
13 64.8700000 0.0744795
14 32.1290000 0.0008787
15 16.0370000 0.0015755
16 7.7849000 -0.0007602
17 3.7247000 0.0003211
18 1.7583000 -0.0001586
S 18
1 16475000.0000000 -0.0000011
2 2466600.0000000 -0.0000084
3 561310.0000000 -0.0000441
4 158990.0000000 -0.0001862
5 51869.0000000 -0.0006783
6 18726.0000000 -0.0022122
7 7303.6000000 -0.0065752
8 3029.1000000 -0.0179328
9 1320.8000000 -0.0443321
10 600.0300000 -0.0963478
11 281.9000000 -0.1696814
12 135.5400000 -0.1920769
13 64.8700000 0.0208731
14 32.1290000 0.4744996
15 16.0370000 0.5214907
16 7.7849000 0.1348001
17 3.7247000 0.0036614
18 1.7583000 0.0018840
S 18
1 16475000.0000000 0.0000004
2 2466600.0000000 0.0000033
3 561310.0000000 0.0000175
4 158990.0000000 0.0000740
5 51869.0000000 0.0002697
6 18726.0000000 0.0008799
7 7303.6000000 0.0026198
8 3029.1000000 0.0071671
9 1320.8000000 0.0178561
10 600.0300000 0.0393960
11 281.9000000 0.0717102
12 135.5400000 0.0858877
13 64.8700000 -0.0103861
14 32.1290000 -0.3040135
15 16.0370000 -0.4933178
16 7.7849000 0.0160890
17 3.7247000 0.7146686
18 1.7583000 0.4904795
S 18
1 16475000.0000000 -0.0000001
2 2466600.0000000 -0.0000010
3 561310.0000000 -0.0000054
4 158990.0000000 -0.0000227
5 51869.0000000 -0.0000827
6 18726.0000000 -0.0002694
7 7303.6000000 -0.0008042
8 3029.1000000 -0.0021949
9 1320.8000000 -0.0054939
10 600.0300000 -0.0120960
11 281.9000000 -0.0222623
12 135.5400000 -0.0266063
13 64.8700000 0.0027580
14 32.1290000 0.1016803
15 16.0370000 0.1704132
16 7.7849000 -0.0062220
17 3.7247000 -0.3452570
18 1.7583000 -0.4234840
S 1
1 0.5833100 1.0000000
S 1
1 0.2785600 1.0000000
S 1
1 0.1182900 1.0000000
S 1
1 6.6640000 1.0000000
S 1
1 13.5630000 1.0000000
S 1
1 27.6050000 1.0000000
S 1
1 0.0442700 1.0000000
P 13
1 26607.0000000 0.0000619
2 6298.2000000 0.0005499
3 2045.2000000 0.0031620
4 782.1600000 0.0137979
5 331.6300000 0.0479812
6 151.1100000 0.1315710
7 72.3920000 0.2685861
8 35.8620000 0.3683473
9 18.1340000 0.2711363
10 9.0430000 0.0762222
11 4.4500000 0.0046749
12 2.1661000 0.0012565
13 0.9962800 -0.0002357
P 13
1 26607.0000000 -0.0000248
2 6298.2000000 -0.0002212
3 2045.2000000 -0.0012736
4 782.1600000 -0.0056179
5 331.6300000 -0.0198600
6 151.1100000 -0.0565531
7 72.3920000 -0.1209479
8 35.8620000 -0.1773098
9 18.1340000 -0.0921472
10 9.0430000 0.2187683
11 4.4500000 0.4854670
12 2.1661000 0.3721970
13 0.9962800 0.0776907
P 13
1 26607.0000000 0.0000064
2 6298.2000000 0.0000572
3 2045.2000000 0.0003297
4 782.1600000 0.0014562
5 331.6300000 0.0051591
6 151.1100000 0.0147617
7 72.3920000 0.0317694
8 35.8620000 0.0470680
9 18.1340000 0.0223871
10 9.0430000 -0.0720254
11 4.4500000 -0.1626429
12 2.1661000 -0.1496503
13 0.9962800 0.1064517
P 1
1 0.4544300 1.0000000
P 1
1 0.1940400 1.0000000
P 1
1 0.0789970 1.0000000
P 1
1 5.1200000 1.0000000
P 1
1 11.0680000 1.0000000
P 1
1 23.9280000 1.0000000
P 1
1 0.0305130 1.0000000
D 9
1 1289.6000000 0.0001190
2 389.7500000 0.0011551
3 151.7600000 0.0067648
4 67.2230000 0.0273017
5 31.9130000 0.0809298
6 15.8570000 0.1794011
7 8.0545000 0.2840086
8 4.0887000 0.3266797
9 2.0556000 0.2584900
D 1
1 0.9950900 1.0000000
D 1
1 0.4231300 1.0000000
D 1
1 0.1779000 1.0000000
D 1
1 2.2930000 1.0000000
D 1
1 4.8040000 1.0000000
D 1
1 10.0650000 1.0000000
D 1
1 0.0829000 1.0000000
F 1
1 0.3407000 1.0000000
F 1
1 0.8257000 1.0000000
F 1
1 2.1130000 1.0000000
F 1
1 5.2890000 1.0000000
F 1
1 13.2410000 1.0000000
F 1
1 0.1748000 1.0000000
G 1
1 0.6491000 1.0000000
G 1
1 2.3320000 1.0000000
G 1
1 9.2410000 1.0000000
G 1
1 0.3110000 1.0000000
H 1
1 2.5630000 1.0000000