@RELATION QuantumChemistry_Known

@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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0.97,3,-3.15,-2170.41,-11906.69,9736.28,-41.2,7.87,-7.87,0.65,1.11,0.63,1.73,-2983.47,1230.76,-390.63,-178.88,9485.62,-19070.09,9736.28,151.82,236.38,3697.39,3906.3
1.38,3.55,-3.9,-2326.25,-13231.66,10905.42,-48.04,7.87,-7.87,0.65,1.1,0.62,1.72,-3184.28,1312.87,-424.08,-195.17,10636.05,-21377.05,10905.42,164.41,241.39,4948.74,5157.2
0.22,2.27,-1.89,-1538.73,-7994.01,6455.28,3.22,8.39,-8.39,0.63,0.66,0.81,1.45,-2063.48,852.52,-303.15,-140.71,6270.6,-12609.8,6455.28,116.09,255.47,1127.99,1206.06
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1.23,3.92,-3.02,-1949.63,-11193.73,9244.1,-45.31,8.88,-8.88,0.47,1,0.73,1.36,-2652.26,1090.28,-358.06,-167.42,9021.72,-18127.99,9244.1,137.83,469.78,1530.62,1553.52
0.28,2.72,-1.82,-1638.44,-8252.74,6614.29,-42.85,8.83,-8.83,0.37,0.4,0.73,0.93,-2248.63,924.6,-292.56,-135.04,6429.84,-12930.95,6614.29,113.19,409.67,686.4,1079.56
-0.14,2.56,-2.08,-1481.98,-6760.27,5278.29,-21.46,8.96,-8.96,0.51,0.95,0.36,1.26,-2048.04,841.49,-256.37,-118.32,5113.07,-10292.09,5278.29,99.26,175.43,905.52,1069.85
0.14,2.37,-1.34,-1482.63,-6829.77,5347.14,-36.52,8.76,-8.76,0.45,0.64,0.76,1.04,-2048.82,843.23,-258.75,-118.74,5181.25,-10427.95,5347.14,100.45,280.28,637.42,906.73
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1.20,3.14,-2.26,-1842.71,-8269.11,6426.4,-42.94,8.98,-8.98,0.15,0.54,0.71,1.22,-2642.38,1076.19,-259.98,-117.96,6248.91,-12573.9,6426.4,101.41,477.03,906.08,1372.11
0.67,4.02,-3.73,-1501.61,-6567.31,5065.7,13.26,9.39,-9.39,0.05,1.3,0.48,1.77,-2099.75,858.7,-237.05,-111.97,4918.41,-9895.65,5065.7,88.45,192.11,1856.26,1970.68
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0.59,2.86,-2.89,-1992.94,-9380.92,7387.98,10.21,10.08,-10.08,-1,6.1,0.18,5.93,-2859.97,1172.59,-293.85,-130.33,7153.56,-14422.92,7387.98,118.62,341.99,1172.64,1503.64
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