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Copy pathMethylPropanoate.com
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MethylPropanoate.com
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#p m062x/6-311+g(2df,2p) opt=(calcfc,maxcycle=1000)
Gaussian input prepared by ASE
0 1
C -1.0997000000 0.0003000000 0.6004000000
C -2.2509000000 -0.3521000000 -0.3093000000
C 2.6367000000 0.0378000000 0.0324000000
C 0.2060000000 -0.1395000000 -0.0847000000
O 1.3472000000 0.1565000000 0.6471000000
H -1.2112000000 1.0586000000 0.9088000000
H -1.1477000000 -0.6896000000 1.4663000000
H -3.1809000000 -0.2411000000 0.2836000000
H -2.3455000000 0.3571000000 -1.1631000000
H -2.2003000000 -1.3938000000 -0.6449000000
H 2.6666000000 -0.9033000000 -0.5905000000
H 3.4296000000 -0.0025000000 0.8061000000
H 2.8333000000 0.8595000000 -0.6743000000
O 0.3168000000 -0.5082000000 -1.2779000000