Accuracy
cyclopentanone
774 Cyclopentanone
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Geometry predicted using PM7
ΔHf: -46.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Cyclopentanone
H=-46.03 HR=C&P1970
C -0.00529836 +1 -0.02004371 +1 -0.06180198 +1
C 1.53824571 +1 -0.00404342 +1 0.00969153 +1
C 1.97404601 +1 1.46479037 +1 -0.05016394 +1
C -0.44135314 +1 1.33811507 +1 -0.62436613 +1
C 0.76557555 +1 2.23872798 +1 -0.51877910 +1
O 0.76468773 +1 3.41214541 +1 -0.77347796 +1
H -0.36396802 +1 -0.85264002 +1 -0.68852580 +1
H -0.43692039 +1 -0.18490474 +1 0.94084941 +1
H 1.96981516 +1 -0.57441777 +1 -0.83148077 +1
H 1.89709445 +1 -0.49654979 +1 0.92801138 +1
H 2.83166545 +1 1.62366370 +1 -0.72836016 +1
H 2.30517979 +1 1.84179157 +1 0.93619255 +1
H -0.76787861 +1 1.26691179 +1 -1.67904286 +1
H -1.30218487 +1 1.76479522 +1 -0.07899178 +1