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	hartrees
Energy at 0K	-117.552150
Energy at 298.15K
HF Energy	-117.081290
Nuclear repulsion energy	70.880637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3342	20.43
2	A'	3256	3256	10.55
3	A'	3245	3245	24.66
4	A'	3224	3224	11.04
5	A'	3130	3130	22.22
6	A'	1782	1782	5.56
7	A'	1564	1564	8.16
8	A'	1515	1515	0.98
9	A'	1471	1471	0.82
10	A'	1367	1367	0.46
11	A'	1233	1233	0.13
12	A'	977	977	2.94
13	A'	961	961	0.98
14	A'	432	432	0.81
15	A"	3202	3202	24.71
16	A"	1548	1548	4.88
17	A"	1107	1107	1.95
18	A"	1049	1049	12.32
19	A"	943	943	35.10
20	A"	595	595	8.62
21	A"	198	198	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.137	-0.498	0.000
C2	0.000	0.480	0.000
C3	1.288	0.140	0.000
H4	1.599	-0.895	0.000
H5	2.070	0.883	0.000
H6	-0.268	1.529	0.000
H7	-0.770	-1.521	0.000
H8	-1.769	-0.362	0.876
H9	-1.769	-0.362	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4998	2.5078	2.7646	3.4919	2.2058	1.0873	1.0892	1.0892
C2	1.4998		1.3325	2.1089	2.1091	1.0830	2.1443	2.1466	2.1466
C3	2.5078	1.3325		1.0805	1.0786	2.0863	2.6449	3.2201	3.2201
H4	2.7646	2.1089	1.0805		1.8392	3.0598	2.4501	3.5210	3.5210
H5	3.4919	2.1091	1.0786	1.8392		2.4259	3.7210	4.1304	4.1304
H6	2.2058	1.0830	2.0863	3.0598	2.4259		3.0918	2.5691	2.5691
H7	1.0873	2.1443	2.6449	2.4501	3.7210	3.0918		1.7638	1.7638
H8	1.0892	2.1466	3.2201	3.5210	4.1304	2.5691	1.7638		1.7527
H9	1.0892	2.1466	3.2201	3.5210	4.1304	2.5691	1.7638	1.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.506	C1	C2	H6	116.382
C2	C1	H7	110.963	C2	C1	H8	111.028
C2	C1	H9	111.028	C2	C3	H4	121.501
C2	C3	H5	121.673	C3	C2	H6	119.112
H4	C3	H5	116.826	H7	C1	H8	108.267
H7	C1	H9	108.267	H8	C1	H9	107.145

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)