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	hartrees
Energy at 0K	-117.586945
Energy at 298.15K
HF Energy	-117.092824
Nuclear repulsion energy	70.638270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3267	20.06
2	A'	3187	3187	13.92
3	A'	3175	3175	20.05
4	A'	3155	3155	10.54
5	A'	3069	3069	21.46
6	A'	1748	1748	8.47
7	A'	1534	1534	15.70
8	A'	1484	1484	2.09
9	A'	1449	1449	3.41
10	A'	1348	1348	0.18
11	A'	1218	1218	0.35
12	A'	967	967	3.83
13	A'	950	950	1.53
14	A'	432	432	0.80
15	A"	3132	3132	22.16
16	A"	1519	1519	9.38
17	A"	1091	1091	1.89
18	A"	1024	1024	19.01
19	A"	914	914	48.56
20	A"	588	588	13.28
21	A"	190	190	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.140	-0.501	0.000
C2	0.000	0.479	0.000
C3	1.292	0.143	0.000
H4	1.609	-0.896	0.000
H5	2.074	0.894	0.000
H6	-0.270	1.535	0.000
H7	-0.774	-1.531	0.000
H8	-1.776	-0.363	0.880
H9	-1.776	-0.363	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5033	2.5151	2.7770	3.5033	2.2141	1.0927	1.0948	1.0948
C2	1.5033		1.3348	2.1171	2.1149	1.0894	2.1544	2.1536	2.1536
C3	2.5151	1.3348		1.0866	1.0846	2.0917	2.6590	3.2311	3.2311
H4	2.7770	2.1171	1.0866		1.8499	3.0726	2.4667	3.5380	3.5380
H5	3.5033	2.1149	1.0846	1.8499		2.4294	3.7409	4.1443	4.1443
H6	2.2141	1.0894	2.0917	3.0726	2.4294		3.1072	2.5780	2.5780
H7	1.0927	2.1544	2.6590	2.4667	3.7409	3.1072		1.7724	1.7724
H8	1.0948	2.1536	3.2311	3.5380	4.1443	2.5780	1.7724		1.7603
H9	1.0948	2.1536	3.2311	3.5380	4.1443	2.5780	1.7724	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.685	C1	C2	H6	116.386
C2	C1	H7	111.188	C2	C1	H8	110.997
C2	C1	H9	110.997	C2	C3	H4	121.596
C2	C3	H5	121.545	C3	C2	H6	118.929
H4	C3	H5	116.859	H7	C1	H8	108.243
H7	C1	H9	108.243	H8	C1	H9	107.017

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)