mirror of
https://github.com/pfloos/quack
synced 2024-12-24 13:23:43 +01:00
245 lines
7.1 KiB
Plaintext
245 lines
7.1 KiB
Plaintext
!----------------------------------------------------------------------
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! Basis Set Exchange
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! Version 2.1.0+44.g1191679.dirty
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! https://www.basissetexchange.org
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!----------------------------------------------------------------------
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! Basis set: cc-pV8Z
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! Description: cc-pV8Z
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! Role: orbital
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! Version: 0 (Data from the original Basis Set Exchange)
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!----------------------------------------------------------------------
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$DATA
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HYDROGEN
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S 15
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1 13940.8000000 0.00000301
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2 3471.4300000 0.00000544
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3 1903.1800000 0.00001785
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4 623.2860000 0.00007195
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5 290.3600000 0.00012055
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6 126.5850000 0.00052527
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7 44.6955000 0.00201384
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8 16.0038000 0.00687086
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9 6.0805600 0.02095415
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10 2.4762200 0.05614039
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11 1.0757100 0.13038113
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12 0.4896820 0.25186989
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13 0.2297860 0.35225121
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14 0.1099655 0.26587036
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15 0.0523230 0.05787678
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S 1
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1 6.0805600 1.0000000
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S 1
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1 2.4762200 1.0000000
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S 1
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1 1.0757100 1.0000000
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S 1
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1 0.4896820 1.0000000
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S 1
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1 0.2297860 1.0000000
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S 1
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1 0.1099655 1.0000000
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S 1
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1 0.0523230 1.0000000
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P 1
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1 17.3691000 1.0000000
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P 1
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1 7.9252700 1.0000000
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P 1
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1 3.6161900 1.0000000
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P 1
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1 1.6500200 1.0000000
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P 1
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1 0.7528800 1.0000000
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P 1
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1 0.3435300 1.0000000
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P 1
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1 0.1567500 1.0000000
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D 1
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1 8.7070200 1.0000000
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D 1
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1 4.4505600 1.0000000
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D 1
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1 2.2748800 1.0000000
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D 1
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1 1.1628000 1.0000000
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D 1
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1 0.5943600 1.0000000
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D 1
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1 0.3038000 1.0000000
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F 1
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1 10.6097000 1.0000000
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F 1
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1 5.2422900 1.0000000
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F 1
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1 2.5902400 1.0000000
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F 1
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1 1.2798500 1.0000000
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F 1
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1 0.6323800 1.0000000
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G 1
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1 5.8235900 1.0000000
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G 1
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1 3.0535100 1.0000000
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G 1
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1 1.6010500 1.0000000
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G 1
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1 0.8394900 1.0000000
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H 1
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1 5.9887600 1.0000000
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H 1
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1 2.9543500 1.0000000
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H 1
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1 1.4574300 1.0000000
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I 1
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1 5.9887600 1.0000000
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I 1
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1 1.6950300 1.0000000
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J 1
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1 4.1600000 1.0000000
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NEON
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S 20
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1 7741600.0000000 0.00000037
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2 1199700.0000000 0.00000275
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3 279049.0000000 0.00001409
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4 80647.0000000 0.00005802
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5 26764.9000000 0.00020791
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6 9774.0400000 0.00067380
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7 3844.0400000 0.00200469
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8 1606.5300000 0.00555536
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9 703.3980000 0.01455391
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10 318.6440000 0.03600119
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11 148.2690000 0.08216342
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12 70.6164000 0.16533764
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13 34.3637000 0.27216031
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14 17.0553000 0.31898287
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15 8.5559700 0.20602037
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16 4.2083200 0.04698434
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17 2.0514000 0.00215565
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18 0.9727960 0.00129875
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19 0.4557530 0.00010780
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20 0.2074050 0.00008303
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S 20
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1 7741600.0000000 -0.00000009
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2 1199700.0000000 -0.00000065
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3 279049.0000000 -0.00000331
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4 80647.0000000 -0.00001362
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5 26764.9000000 -0.00004885
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6 9774.0400000 -0.00015836
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7 3844.0400000 -0.00047203
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8 1606.5300000 -0.00131201
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9 703.3980000 -0.00346487
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10 318.6440000 -0.00870414
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11 148.2690000 -0.02053558
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12 70.6164000 -0.04403733
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13 34.3637000 -0.08245730
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14 17.0553000 -0.12474347
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15 8.5559700 -0.11934839
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16 4.2083200 0.02665646
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17 2.0514000 0.28899046
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18 0.9727960 0.44795215
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19 0.4557530 0.32007201
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20 0.2074050 0.06663428
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S 1
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1 17.0553000 1.0000000
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S 1
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1 8.5559700 1.0000000
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S 1
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1 4.2083200 1.0000000
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S 1
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1 2.0514000 1.0000000
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S 1
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1 0.9727960 1.0000000
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S 1
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1 0.4557530 1.0000000
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S 1
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1 0.2074050 1.0000000
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P 14
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1 5865.3500000 0.00000605
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2 1338.2600000 0.00005711
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3 429.4940000 0.00033617
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4 164.3140000 0.00150898
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5 70.0782000 0.00551808
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6 32.0242000 0.01705910
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7 15.2906000 0.04560384
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8 7.5357100 0.10301383
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9 3.7861900 0.18536807
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10 1.9079700 0.25916104
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11 0.9527700 0.28344532
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12 0.4698040 0.23355206
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13 0.2285450 0.11940731
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14 0.1075330 0.02176175
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P 1
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1 7.5357100 1.0000000
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P 1
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1 3.7861900 1.0000000
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P 1
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1 1.9079700 1.0000000
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P 1
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1 0.9527700 1.0000000
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P 1
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1 0.4698040 1.0000000
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P 1
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1 0.2285450 1.0000000
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P 1
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1 0.1075330 1.0000000
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D 1
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1 24.0372000 1.0000000
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D 1
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1 12.1858000 1.0000000
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D 1
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1 6.1777000 1.0000000
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D 1
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1 3.1318000 1.0000000
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D 1
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1 1.5876800 1.0000000
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D 1
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1 0.8048800 1.0000000
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D 1
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1 0.4080400 1.0000000
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F 1
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1 14.9656000 1.0000000
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F 1
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1 7.9562600 1.0000000
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F 1
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1 4.2298500 1.0000000
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F 1
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1 2.2487500 1.0000000
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F 1
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1 1.1955200 1.0000000
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F 1
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1 0.6355900 1.0000000
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G 1
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1 16.8025000 1.0000000
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G 1
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1 8.4815000 1.0000000
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G 1
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1 4.2812500 1.0000000
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G 1
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1 2.1610600 1.0000000
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G 1
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1 1.0908500 1.0000000
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H 1
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1 10.8774000 1.0000000
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H 1
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1 5.5708900 1.0000000
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H 1
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1 2.8531500 1.0000000
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H 1
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1 1.4612500 1.0000000
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I 1
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1 11.1420000 1.0000000
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I 1
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1 5.1819900 1.0000000
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I 1
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1 2.4100700 1.0000000
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J 1
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1 9.2945400 1.0000000
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J 1
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1 3.9239400 1.0000000
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K 1
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1 5.7880000 1.0000000
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$END |