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	hartrees
Energy at 0K	-117.483676
Energy at 298.15K
HF Energy	-117.093258
Nuclear repulsion energy	70.843550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3072	21.92
2	A'	3228	2999	12.18
3	A'	3214	2987	25.52
4	A'	3194	2967	10.95
5	A'	3109	2888	25.01
6	A'	1787	1660	9.58
7	A'	1561	1450	15.18
8	A'	1512	1404	1.79
9	A'	1475	1370	2.43
10	A'	1373	1276	0.14
11	A'	1240	1152	0.35
12	A'	984	914	3.43
13	A'	962	894	1.66
14	A'	439	408	0.83
15	A"	3169	2945	25.86
16	A"	1546	1436	8.93
17	A"	1117	1038	2.75
18	A"	1055	980	16.42
19	A"	963	894	50.95
20	A"	605	562	13.42
21	A"	196	182	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.136	-0.505	0.000
C2	0.000	0.476	0.000
C3	1.287	0.150	0.000
H4	1.612	-0.884	0.000
H5	2.063	0.904	0.000
H6	-0.274	1.527	0.000
H7	-0.771	-1.532	0.000
H8	-1.770	-0.369	0.877
H9	-1.770	-0.369	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5011	2.5100	2.7739	3.4949	2.2079	1.0893	1.0915	1.0915
C2	1.5011		1.3282	2.1094	2.1064	1.0861	2.1514	2.1489	2.1489
C3	2.5100	1.3282		1.0833	1.0815	2.0822	2.6582	3.2230	3.2230
H4	2.7739	2.1094	1.0833		1.8435	3.0613	2.4702	3.5323	3.5323
H5	3.4949	2.1064	1.0815	1.8435		2.4182	3.7368	4.1327	4.1327
H6	2.2079	1.0861	2.0822	3.0613	2.4182		3.0995	2.5698	2.5698
H7	1.0893	2.1514	2.6582	2.4702	3.7368	3.0995		1.7667	1.7667
H8	1.0915	2.1489	3.2230	3.5323	4.1327	2.5698	1.7667		1.7549
H9	1.0915	2.1489	3.2230	3.5323	4.1327	2.5698	1.7667	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.914	C1	C2	H6	116.239
C2	C1	H7	111.307	C2	C1	H8	110.972
C2	C1	H9	110.972	C2	C3	H4	121.695
C2	C3	H5	121.544	C3	C2	H6	118.847
H4	C3	H5	116.761	H7	C1	H8	108.210
H7	C1	H9	108.210	H8	C1	H9	107.007

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/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: CID/6-311G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)