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	hartrees
Energy at 0K	-20.146190
Energy at 298.15K	-20.151728
HF Energy	-19.874161
Nuclear repulsion energy	39.415102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3218	62.19
2	A'	3139	3139	19.66
3	A'	3118	3118	56.92
4	A'	3099	3099	25.83
5	A'	3008	3008	43.48
6	A'	1690	1690	5.65
7	A'	1515	1515	12.30
8	A'	1471	1471	2.73
9	A'	1446	1446	1.92
10	A'	1328	1328	0.13
11	A'	1202	1202	0.80
12	A'	952	952	4.42
13	A'	918	918	0.60
14	A'	415	415	0.54
15	A"	3080	3080	58.66
16	A"	1491	1491	10.11
17	A"	1084	1084	3.20
18	A"	997	997	35.20
19	A"	857	857	59.44
20	A"	574	574	15.92
21	A"	187	187	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.180	-0.500	0.000
C2	0.000	0.500	0.000
C3	1.335	0.124	0.000
H4	1.640	-0.937	0.000
H5	2.141	0.878	0.000
H6	-0.259	1.575	0.000
H7	-0.810	-1.549	0.000
H8	-1.823	-0.355	0.899
H9	-1.823	-0.355	-0.899

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5462	2.5911	2.8536	3.5957	2.2697	1.1127	1.1152	1.1152
C2	1.5462		1.3873	2.1804	2.1746	1.1060	2.2029	2.2052	2.2052
C3	2.5911	1.3873		1.1033	1.1044	2.1562	2.7199	3.3186	3.3186
H4	2.8536	2.1804	1.1033		1.8833	3.1491	2.5251	3.6252	3.6252
H5	3.5957	2.1746	1.1044	1.8833		2.4995	3.8210	4.2481	4.2481
H6	2.2697	1.1060	2.1562	3.1491	2.4995		3.1721	2.6418	2.6418
H7	1.1127	2.2029	2.7199	2.5251	3.8210	3.1721		1.8060	1.8060
H8	1.1152	2.2052	3.3186	3.6252	4.2481	2.6418	1.8060		1.7987
H9	1.1152	2.2052	3.3186	3.6252	4.2481	2.6418	1.8060	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.993	C1	C2	H6	116.718
C2	C1	H7	110.838	C2	C1	H8	110.873
C2	C1	H9	110.873	C2	C3	H4	121.780
C2	C3	H5	121.136	C3	C2	H6	119.290
H4	C3	H5	117.084	H7	C1	H8	108.317
H7	C1	H9	108.317	H8	C1	H9	107.501

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2CHCH3 (Propene)

using model chemistry: MP3/CEP-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)