@RELATION QuantumChemistry_Train

@ATTRIBUTE class NUMERIC
@ATTRIBUTE ALOGPs NUMERIC
@ATTRIBUTE ALOGpS NUMERIC
@ATTRIBUTE TotalEnergy NUMERIC
@ATTRIBUTE ElectronicEnergy NUMERIC
@ATTRIBUTE CoreRepulsion NUMERIC
@ATTRIBUTE FinalHeat NUMERIC
@ATTRIBUTE IonisationPotential NUMERIC
@ATTRIBUTE HomoEnergy NUMERIC
@ATTRIBUTE LumoEnergy NUMERIC
@ATTRIBUTE DipolPointCharge NUMERIC
@ATTRIBUTE DipolHybrid NUMERIC
@ATTRIBUTE DipolSum NUMERIC
@ATTRIBUTE ElectronNuclear1 NUMERIC
@ATTRIBUTE ElectronElectron1 NUMERIC
@ATTRIBUTE ResonanceEnergy NUMERIC
@ATTRIBUTE ExchangeEnergy NUMERIC
@ATTRIBUTE ElectronElectronRepulsion NUMERIC
@ATTRIBUTE ElectronNuclearAttraction NUMERIC
@ATTRIBUTE NuclearNuclearRepulsion NUMERIC
@ATTRIBUTE TotalElectrostaticInteraction NUMERIC
@ATTRIBUTE PrincipalMomentsInertiaA NUMERIC
@ATTRIBUTE PrincipalMomentsInertiaB NUMERIC
@ATTRIBUTE PrincipalMomentsInertiaC NUMERIC

@DATA
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0.25,3.15,-2.72,-1162.07,-5372.47,4210.4,6.79,9.06,-9.06,0.49,0.07,0.01,0.08,-1530.58,630.28,-237.91,-112.97,4073.03,-8194.32,4210.4,89.11,158.38,573.81,721.18
0.25,2.56,-2.26,-1006.2,-4273.18,3266.97,14.41,9.33,-9.33,0.52,0.3,0.04,0.27,-1331.29,549.47,-204.04,-96.6,3146.96,-6337.67,3266.97,76.26,153.03,328.62,476.14
1.25,4.34,-4.3,-1473.66,-7696.28,6222.62,-5.07,9.37,-9.37,0.52,0.31,0.06,0.26,-1933.54,795.62,-304.28,-145.46,6046.58,-12155.2,6222.62,114,228.63,1474.85,1563.16
1.79,4.81,-4.79,-1629.5,-8908.36,7278.87,-11.92,9.37,-9.37,0.52,0.32,0.06,0.26,-2134.36,877.75,-337.72,-161.75,7084.08,-14236.35,7278.87,126.59,234.99,2183.97,2271.36
-0.24,0.9,-1.04,-1226.95,-5459.14,4232.19,19.37,9.45,-9.46,0.46,0.23,1.12,1.32,-1663.93,688.72,-234.37,-107.75,4083.64,-8225.46,4232.19,90.37,175.82,569.7,711.98
0.69,3.67,-3.51,-1317.7,-6657.81,5340.11,4.71,9.38,-9.38,0.54,0.3,0.06,0.25,-1732.4,713.13,-270.69,-129.16,5183.8,-10422.48,5340.11,101.42,249.75,760.77,833.84
0.42,3.01,-3.14,-1950.14,-10334.75,8384.61,-57.06,9.4,-9.4,0.5,1.05,0.62,1.54,-2657.26,1094.24,-356.99,-167.15,8160.99,-16408.58,8384.61,137.02,262.64,3110.11,3170.07
-0.07,2.9,-2.48,-1949.87,-10879.32,8929.45,-50.98,9.4,-9.4,0.48,1.04,0.74,1.48,-2658.91,1095.98,-356.67,-167.08,8704.34,-17496.98,8929.45,136.81,357.4,2048.1,2166.81
-0.21,2,-1.54,-1638.46,-7869.39,6230.93,-43.21,9.43,-9.43,0.48,1.06,0.62,1.54,-2255.44,929.8,-290.11,-134.58,6045.19,-12164.27,6230.93,111.86,222.62,1498.36,1587.38
-0.83,1.07,-0.61,-1326.7,-5550.98,4224.28,-27.49,9.58,-9.58,0.42,1.17,0.57,1.55,-1852.44,764.19,-223.12,-102.05,4078.51,-8216.09,4224.28,86.71,178.03,570.72,693.78
-0.66,1.58,-0.9,-1482.47,-6845.92,5363.45,-32.85,9.4,-9.4,0.5,1.01,0.64,1.56,-2055.3,848.53,-256.48,-118.26,5197.04,-10461.46,5363.45,99.03,243.43,722.68,880.21
0.07,2.19,-1.71,-1638.36,-7980.35,6341.99,-40.89,9.32,-9.32,0.4,1.08,0.62,1.37,-2252.39,926.97,-290.35,-134.7,6160.64,-12390.51,6341.99,112.12,239.84,1255.98,1327.93
-0.01,2.44,-1.79,-1794.1,-9521.11,7727.01,-45.56,9.43,-9.43,0.49,1.14,0.63,1.58,-2456.54,1012.33,-323.3,-150.82,7522.63,-15125.41,7727.01,124.23,502.92,1187.77,1448.33
0.92,3.18,-3.36,-2149.58,-11790.22,9640.64,-1.94,8.93,-8.93,-0.13,1.14,0.57,1.52,-2954.16,1219.3,-385.52,-176.95,9399.08,-18891.97,9640.64,147.75,333.2,2762.07,2969.98
1.97,5.04,-5.18,-1984.86,-11617.67,9632.81,34.18,8.82,-8.83,-0.06,0.35,0.06,0.3,-2633.56,1086.41,-399.81,-187.79,9398.86,-18881.78,9632.81,149.89,341.53,2715.65,2915.04
1.05,4.02,-4.01,-1673.21,-8879.42,7206.21,47.6,8.95,-8.95,-0.07,0,0,0,-2233.62,923.65,-332.56,-155.14,7008.14,-14089.88,7206.22,124.47,295.35,1515.72,1739.84
0.80,3.35,-3.9,-2460.81,-15863.72,13402.91,-5.69,9.24,-9.24,0.55,0.88,0.65,1.46,-3359.54,1387.2,-451.54,-209.3,13126.94,-26357.48,13402.91,172.37,1128.56,1953.6,2360.38
0.75,3.48,-3.23,-2460.88,-15707.19,13246.31,-7.15,9.26,-9.26,0.36,1.11,0.65,1.54,-3359.22,1386.75,-451.61,-209.31,12968.26,-26042.07,13246.31,172.51,1122.09,2076.48,2602.88
-0.16,1.82,-1.43,-1383.02,-6728.64,5345.63,7.17,8.02,-8.02,0.76,0.79,0.5,1.26,-1863.44,773.29,-271.97,-124.63,5178.62,-10420.52,5345.63,103.73,280.79,640.17,909.99
-1.13,-0.14,-0.44,-1547.77,-6855.6,5307.83,-29.95,8.46,-8.46,0.57,0.38,0.84,1.16,-2184.87,905.08,-255.7,-113.56,5132.33,-10338.88,5307.83,101.28,307.59,665.66,964.31
0.61,2.5,-2.63,-2014.58,-10606.32,8591.75,-34.35,7.87,-7.87,0.65,1.12,0.62,1.73,-2782.65,1148.62,-357.19,-162.59,8359.96,-16812.48,8591.75,139.23,212.38,2710.89,2901.25
-0.05,1.34,-0.93,-1227.19,-5461.87,4234.68,13.99,8.06,-8.06,0.79,0.94,0.49,1.42,-1664.05,692.36,-238.13,-108.29,4084.39,-8228.14,4234.68,90.94,156.22,570.03,720.75
-0.03,1.9,-1.53,-1382.97,-6671.73,5288.76,8.32,8.17,-8.17,0.74,1,0.48,1.46,-1865.15,774.82,-271.48,-124.55,5119.92,-10305.28,5288.76,103.4,285.6,721.53,942.15
0.03,1.91,-1.55,-1382.97,-6646.1,5263.12,8.21,8.08,-8.09,0.79,0.97,0.5,1.47,-1864.66,774.26,-271.5,-124.58,5095.27,-10254.89,5263.12,103.5,191.39,875.54,996.52
-0.28,1.32,-1.01,-1227.23,-5473.41,4246.18,12.99,8.48,-8.48,0.61,0.71,0.79,1.44,-1662.76,689.3,-236.49,-108.13,4096.45,-8251.78,4246.18,90.85,231.46,467,692.2
0.76,3.57,-3.4,-2005.9,-12655.48,10649.57,-9.78,8.33,-8.33,0.64,0.77,0.85,1.48,-2664.42,1097.44,-403.32,-189.52,10409.29,-20904.96,10649.57,153.91,563.18,1670.46,2003.47
-0.22,1.91,-1.51,-1382.99,-6773.34,5390.35,7.92,8.43,-8.43,0.61,0.89,0.8,1.57,-1863.18,770.98,-269.82,-124.41,5221.54,-10508.45,5390.35,103.44,321.54,584.43,840.63
0.31,2.86,-2.28,-1694.6,-9533.15,7838.55,-4.39,8.35,-8.35,0.61,0.9,0.81,1.58,-2263.09,933.68,-336.96,-157.03,7633.62,-15343.36,7838.55,128.81,512.24,980.17,1337.19
-0.14,1.31,-0.54,-1646.77,-6971.91,5325.14,-59.35,8.64,-8.64,0.3,0.8,0.35,0.55,-2365.36,972.02,-243.78,-107.84,5148.68,-10375.63,5325.14,98.19,176.33,842.35,1013.05
0.93,2.77,-1.92,-1638.45,-8187.16,6548.71,-42.93,8.75,-8.75,0.43,1.31,0.72,1.53,-2248.76,924.76,-292.51,-135.03,6363.44,-12799.06,6548.71,113.1,481.03,662.59,1127.06
0.06,2.51,-2.89,-1366.33,-5455.02,4088.7,6.91,9.7,-9.7,0.08,1.72,0.02,1.7,-1930.24,786.83,-204.3,-95.63,3956.06,-7967.74,4088.7,77.01,198.69,839.5,942
0.25,2.63,-2.35,-1482.06,-6780.92,5298.86,-23.39,8.79,-8.79,0.52,0.89,0.36,1.25,-2045.93,839.49,-256.89,-118.44,5135.38,-10334.54,5298.86,99.7,178.86,843.68,1011.4
0.91,3.47,-2.37,-1793.88,-9615.56,7821.67,-40.56,8.89,-8.89,0.47,1.04,0.73,1.38,-2451.52,1008.24,-324.68,-151.16,7617.12,-15313.55,7821.67,125.25,329.54,1289.19,1437.06
-0.10,2.1,-1.54,-1326.2,-5604.27,4278.07,-15.85,9,-9,0.48,0.89,0.36,1.25,-1846.8,758.86,-223.03,-102.06,4131.75,-8323,4278.07,86.82,169.22,533.98,697.57
0.21,2.54,-1.3,-1482.59,-6746.65,5264.06,-35.57,8.92,-8.92,0.44,0.96,0.71,1.32,-2050.44,844.66,-258.27,-118.66,5095.18,-10259.12,5264.06,100.12,190.93,875.09,995.56
0.29,2.53,-1.23,-1482.59,-6769.77,5287.18,-35.55,9.05,-9.05,0.38,0.77,0.75,1.08,-2050.77,845.03,-258.26,-118.64,5118.19,-10305.32,5287.18,100.04,284.04,722.64,941.67
-0.29,1.89,-0.59,-1326.77,-5634.06,4307.29,-29.01,8.96,-8.96,0.41,0.38,0.75,0.96,-1849.66,762.58,-224.9,-102.37,4158.64,-8378.35,4307.29,87.58,258.3,379.92,632.75
0.16,2.45,-1.1,-1482.55,-6876.1,5393.56,-34.51,8.99,-8.99,0.41,0.38,0.75,1,-2050.23,844.44,-258.23,-118.65,5227.57,-10521.01,5393.56,100.12,319.51,579.97,833.7
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0.33,2.4,-1.64,-1609.71,-7664.88,6055.17,-9.97,9.02,-9.02,0.36,0.55,0.73,1.13,-2228.16,919.84,-280.75,-129.05,5872.52,-11819.28,6055.17,108.41,353.86,881.13,1150.31
0.36,3,-3.15,-1183.95,-4250.12,3066.17,38.12,9.65,-9.65,0.06,0.01,1.42,1.43,-1691.9,693.6,-168.24,-79.1,2958.79,-5963.26,3066.17,61.7,147.69,1085.01,1232.7
0.05,1.95,-1.37,-1431.45,-5541.96,4110.5,13.87,8.31,-8.31,0.47,2.68,0.41,3.09,-2058.17,844.2,-205.53,-91.19,3967.61,-7998.87,4110.5,79.24,151.76,856.29,1008.05
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1.56,3.89,-4.19,-2233.52,-12771.52,10538,-48.24,9.92,-9.92,-0.34,2.32,0.45,2.77,-3030.71,1245.94,-411.26,-193.85,10278.45,-20660.1,10538,156.36,341.53,4193.55,4502.31
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