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	hartrees
Energy at 0K	-117.303030
Energy at 298.15K
HF Energy	-117.026983
Nuclear repulsion energy	70.270659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3063	30.01
2	A'	3197	2990	5.26
3	A'	3182	2976	35.04
4	A'	3148	2944	16.40
5	A'	3070	2871	26.85
6	A'	1768	1654	5.20
7	A'	1583	1480	9.91
8	A'	1531	1432	1.13
9	A'	1506	1408	3.43
10	A'	1393	1303	0.24
11	A'	1251	1170	0.63
12	A'	1006	941	3.10
13	A'	955	893	1.01
14	A'	444	415	0.62
15	A"	3129	2927	31.52
16	A"	1565	1463	7.43
17	A"	1142	1068	0.79
18	A"	1054	986	15.77
19	A"	980	917	49.78
20	A"	608	568	11.68
21	A"	191	179	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.148	-0.506	0.000
C2	0.000	0.482	0.000
C3	1.300	0.148	0.000
H4	1.626	-0.891	0.000
H5	2.086	0.898	0.000
H6	-0.279	1.536	0.000
H7	-0.776	-1.538	0.000
H8	-1.785	-0.372	0.885
H9	-1.785	-0.372	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5139	2.5333	2.8001	3.5251	2.2190	1.0971	1.0985	1.0985
C2	1.5139		1.3421	2.1279	2.1271	1.0912	2.1631	2.1675	2.1675
C3	2.5333	1.3421		1.0888	1.0867	2.1031	2.6736	3.2511	3.2511
H4	2.8001	2.1279	1.0888		1.8475	3.0860	2.4869	3.5616	3.5616
H5	3.5251	2.1271	1.0867	1.8475		2.4500	3.7578	4.1690	4.1690
H6	2.2190	1.0912	2.1031	3.0860	2.4500		3.1139	2.5871	2.5871
H7	1.0971	2.1631	2.6736	2.4869	3.7578	3.1139		1.7775	1.7775
H8	1.0985	2.1675	3.2511	3.5616	4.1690	2.5871	1.7775		1.7696
H9	1.0985	2.1675	3.2511	3.5616	4.1690	2.5871	1.7775	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.889	C1	C2	H6	115.867
C2	C1	H7	110.877	C2	C1	H8	111.140
C2	C1	H9	111.140	C2	C3	H4	121.823
C2	C3	H5	121.923	C3	C2	H6	119.244
H4	C3	H5	116.254	H7	C1	H8	108.113
H7	C1	H9	108.113	H8	C1	H9	107.310

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)