mirror of
https://github.com/QuantumPackage/qp2.git
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387 lines
11 KiB
Plaintext
387 lines
11 KiB
Plaintext
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!----------------------------------------------------------------------
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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: MIDI
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! Description: Huzinaga MIDI
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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 2
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1 4.501800 0.070452
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2 0.681444 0.407826
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S 1
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1 0.151398 1.000000
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HELIUM
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S 2
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1 13.626736 0.080241
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2 1.999349 0.409143
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S 1
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1 0.382993 0.657278
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LITHIUM
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S 3
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1 35.04615 0.073760
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2 5.201690 0.397471
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3 1.056240 0.665092
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S 2
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1 0.715170 -0.093970
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2 0.070530 0.570100
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S 1
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1 0.027350 1.000000
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BERYLLIUM
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S 3
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1 66.953540 0.070200
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2 9.939290 0.391910
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3 2.057130 0.669970
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S 2
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1 1.912210 -0.082820
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2 0.161320 0.557553
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S 1
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1 0.055240 1.000000
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BORON
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S 3
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1 108.43704 0.068651
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2 16.120560 0.389933
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3 3.3734300 0.671395
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S 2
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1 3.566500 -0.082419
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2 0.295470 0.559064
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S 1
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1 0.098050 1.000000
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P 2
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1 2.572072 0.105900
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2 0.516940 0.457180
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P 1
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1 0.123140 1.000000
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CARBON
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S 3
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1 153.17226 0.070740
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2 23.073030 0.395380
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3 4.9232900 0.663311
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S 2
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1 5.725570 -0.081380
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2 0.455040 0.574853
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S 1
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1 0.147070 1.000000
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P 2
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1 4.251310 0.109931
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2 0.863270 0.462713
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P 1
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1 0.201350 1.000000
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NITROGEN
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S 3
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1 218.36449 0.067870
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2 32.598890 0.390202
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3 6.9173900 0.670083
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S 2
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1 8.326380 -0.080890
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2 0.659190 0.567202
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S 1
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1 0.210090 1.000000
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P 2
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1 6.120350 0.115919
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2 1.259380 0.469958
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P 1
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1 0.291450 1.000000
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OXYGEN
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S 3
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1 281.86658 0.069060
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2 42.416000 0.393159
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3 9.0956200 0.665669
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S 2
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1 11.46603 -0.080820
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2 0.887860 0.582090
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S 1
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1 0.278800 1.000000
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P 2
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1 8.047240 0.124271
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2 1.668420 0.476594
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P 1
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1 0.372510 1.000000
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FLUORINE
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S 3
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1 368.37112 0.067040
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2 55.061060 0.389249
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3 11.747670 0.670788
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S 2
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1 15.15184 -0.080550
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2 1.151370 0.587729
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S 1
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1 0.358110 1.000000
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P 2
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1 10.57707 0.126270
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2 2.194980 0.477948
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P 1
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1 0.479370 1.000000
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NEON
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S 3
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1 456.95285 0.066910
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2 68.365430 0.389349
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3 14.619760 0.670518
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S 2
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1 19.32719 -0.080250
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2 1.441820 0.595298
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S 1
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1 0.444080 1.000000
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P 2
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1 13.35252 0.128840
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2 2.779470 0.480441
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P 1
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1 0.600970 1.000000
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SODIUM
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S 3
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1 542.76053 0.068410
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2 81.959470 0.392092
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3 17.723770 0.666084
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S 3
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1 23.280420 -0.083801
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2 1.868340 0.582794
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3 0.623250 0.492474
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S 2
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1 0.506730 -0.115762
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2 0.053510 0.695863
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S 1
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1 0.020800 1.000000
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P 3
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1 17.836360 0.125710
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2 3.795690 0.480461
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3 0.877510 0.602281
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ALUMINUM
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S 3
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1 777.44334 0.066887
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2 117.23153 0.387768
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3 25.376297 0.670703
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S 3
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1 33.356253 -0.088956
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2 2.801315 0.601061
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3 1.022733 0.468786
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S 2
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1 1.329188 -0.151389
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2 0.161663 0.659386
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S 1
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1 0.058989 1.000000
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P 3
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1 30.56958 0.112353
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2 6.644701 0.467467
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3 1.654395 0.609782
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P 2
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1 0.299651 0.226433
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2 0.044652 0.396470
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P 1
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1 0.115848 1.000000
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SILICON
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S 3
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1 909.23487 0.066405
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2 137.12456 0.386222
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3 29.714810 0.672240
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S 3
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1 39.129423 -0.090999
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2 3.335981 0.611615
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3 1.251259 0.456860
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S 2
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1 1.803101 -0.168733
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2 0.226389 0.675453
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S 1
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1 0.082396 1.000000
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P 3
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1 37.881761 0.108753
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2 8.304598 0.463515
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3 2.120792 0.611334
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P 2
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1 0.447802 0.238913
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2 0.062362 0.345453
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P 1
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1 0.170838 1.000000
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PHOSPHORUS
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S 3
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1 1053.2658 0.065865
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2 158.79044 0.384578
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3 34.424407 0.673963
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S 3
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1 45.45038 -0.092655
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2 3.899926 0.626513
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3 1.488507 0.441039
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S 2
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1 2.300841 -0.180549
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2 0.298959 0.680952
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S 1
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1 0.108854 1.000000
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P 3
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1 46.100019 0.105388
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2 10.165057 0.459712
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3 2.644794 0.613714
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P 2
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1 0.632686 0.235885
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2 0.240219 0.554160
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P 1
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1 0.086447 1.000000
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SULFUR
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S 3
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1 1201.4584 0.065765
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2 181.39212 0.383948
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3 39.404795 0.674372
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S 3
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1 52.13903 -0.094232
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2 4.528799 0.635468
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3 1.754938 0.431506
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S 2
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1 2.840437 0.190042
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2 0.381433 -0.685527
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S 1
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1 0.138786 1.000000
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P 3
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1 54.644071 0.103673
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2 12.122902 0.458190
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3 3.2065040 0.613400
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P 2
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1 0.863274 0.229436
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2 0.108679 0.353700
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P 1
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1 0.318130 1.000000
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CHLORINE
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S 3
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1 1362.0220 0.065544
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2 205.81110 0.382987
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3 44.772167 0.675210
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S 3
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1 59.225732 -0.095620
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2 5.213902 0.641426
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3 2.047346 0.425153
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S 2
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1 3.419712 0.196401
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2 0.470017 -0.692360
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S 1
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1 0.169958 1.000000
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P 3
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1 64.099958 0.101789
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2 14.287139 0.456107
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3 3.828135 0.614282
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P 2
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1 1.095126 0.235903
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2 0.132176 0.346600
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P 1
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1 0.396004 1.000000
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ARGON
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S 3
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1 1536.9325 0.065159
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2 232.17765 0.381807
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3 50.521685 0.676446
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S 3
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1 66.933949 -0.096740
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2 5.918552 0.652749
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3 2.339342 0.413573
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S 2
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1 4.045307 0.200736
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2 0.565701 -0.696268
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S 1
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1 0.204065 1.000000
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P 3
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1 74.352915 0.100079
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2 16.631346 0.454226
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3 4.503927 0.61525
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P 2
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1 1.357091 0.237276
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2 0.488113 0.558360
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P 1
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1 0.162126 1.000000
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POTASSIUM
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S 3
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1 1721.1755 0.064875
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2 260.01633 0.380859
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3 56.624554 0.677368
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S 3
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1 75.05560 -0.097873
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2 6.691163 0.659560
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3 2.667166 0.406529
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S 3
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1 4.668937 -0.212930
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2 0.700013 0.689249
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3 0.275334 0.433925
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S 2
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1 0.252312 -0.152980
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2 0.037631 0.681728
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S 1
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1 0.016218 0.414483
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P 3
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1 85.789846 0.098035
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2 19.254794 0.451041
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3 5.268624 0.617708
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P 3
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1 1.683145 0.238636
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2 0.625809 0.571057
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3 0.223898 0.316536
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CESIUM
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S 3
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1 15525.866 0.060724
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2 2349.0055 0.365842
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3 516.23555 0.692047
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S 3
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1 687.50505 -0.110213
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2 67.191157 0.727203
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3 27.992003 0.340143
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S 3
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1 60.168188 -0.275315
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2 10.868694 0.890128
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3 4.7407050 0.264863
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S 3
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1 9.887163 -0.368827
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2 2.369343 0.832582
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3 1.141676 0.388789
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S 3
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1 1.769078 -0.340942
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2 .383620 0.700097
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3 .171306 0.493452
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S 2
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1 .211849 -0.275022
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2 .040324 0.193604
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S 1
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1 .017058 1.0
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P 3
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1 1024.2833 0.079185
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2 239.64889 0.419933
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3 71.255548 0.643251
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P 3
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1 139.458640 -.033123
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2 25.810810 .389108
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3 10.139452 .679033
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P 3
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1 4.324244 .381669
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2 1.936415 .576976
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3 .814505 .115405
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P 3
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1 .594584 .319907
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2 .274992 .553187
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3 .111553 .216088
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D 3
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1 144.05139 .111830
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2 40.505146 .476835
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3 13.086244 .595417
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D 3
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1 7.371578 .253725
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2 2.724824 .578886
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3 1.026678 .332598
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$END
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