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	hartrees
Energy at 0K	-20.279711
Energy at 298.15K	-20.285337
HF Energy	-19.923465
Nuclear repulsion energy	39.990639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3059	36.14
2	A'	3241	2994	15.91
3	A'	3218	2974	41.31
4	A'	3206	2963	12.20
5	A'	3117	2880	36.60
6	A'	1785	1649	8.20
7	A'	1541	1423	13.05
8	A'	1500	1386	1.51
9	A'	1458	1347	0.66
10	A'	1353	1250	0.27
11	A'	1227	1133	0.39
12	A'	965	892	5.10
13	A'	950	878	0.18
14	A'	427	395	0.78
15	A"	3182	2941	40.83
16	A"	1526	1410	9.32
17	A"	1106	1022	6.56
18	A"	1044	964	25.93
19	A"	931	860	58.89
20	A"	601	555	15.84
21	A"	201	186	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.158	-0.495	0.000
C2	0.000	0.491	0.000
C3	1.311	0.125	0.000
H4	1.615	-0.925	0.000
H5	2.106	0.878	0.000
H6	-0.254	1.555	0.000
H7	-0.794	-1.534	0.000
H8	-1.795	-0.349	0.889
H9	-1.795	-0.349	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5209	2.5462	2.8061	3.5410	2.2410	1.1005	1.1034	1.1034
C2	1.5209		1.3612	2.1474	2.1411	1.0948	2.1745	2.1720	2.1720
C3	2.5462	1.3612		1.0931	1.0943	2.1205	2.6804	3.2657	3.2657
H4	2.8061	2.1474	1.0931		1.8682	3.1058	2.4847	3.5708	3.5708
H5	3.5410	2.1411	1.0943	1.8682		2.4556	3.7715	4.1848	4.1848
H6	2.2410	1.0948	2.1205	3.1058	2.4556		3.1360	2.6059	2.6059
H7	1.1005	2.1745	2.6804	2.4847	3.7715	3.1360		1.7879	1.7879
H8	1.1034	2.1720	3.2657	3.5708	4.1848	2.6059	1.7879		1.7779
H9	1.1034	2.1720	3.2657	3.5708	4.1848	2.6059	1.7879	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.027	C1	C2	H6	116.967
C2	C1	H7	111.085	C2	C1	H8	110.709
C2	C1	H9	110.709	C2	C3	H4	121.696
C2	C3	H5	120.994	C3	C2	H6	119.006
H4	C3	H5	117.310	H7	C1	H8	108.435
H7	C1	H9	108.435	H8	C1	H9	107.348

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/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: CID/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)