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	hartrees
Energy at 0K	-117.444959
Energy at 298.15K
HF Energy	-117.071164
Nuclear repulsion energy	70.852876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	3077	20.31
2	A'	3253	3005	5.52
3	A'	3241	2994	28.89
4	A'	3217	2971	10.64
5	A'	3130	2891	22.92
6	A'	1810	1672	6.99
7	A'	1579	1458	10.41
8	A'	1529	1413	1.38
9	A'	1491	1378	1.30
10	A'	1386	1281	0.27
11	A'	1250	1155	0.28
12	A'	992	916	3.61
13	A'	971	897	1.02
14	A'	440	407	0.82
15	A"	3193	2949	24.72
16	A"	1564	1444	6.54
17	A"	1130	1043	1.65
18	A"	1066	985	13.12
19	A"	980	905	43.28
20	A"	610	563	10.41
21	A"	202	186	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.503	0.000
C2	0.000	0.477	0.000
C3	1.287	0.147	0.000
H4	1.610	-0.887	0.000
H5	2.066	0.898	0.000
H6	-0.275	1.528	0.000
H7	-0.768	-1.530	0.000
H8	-1.770	-0.367	0.879
H9	-1.770	-0.367	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4998	2.5077	2.7718	3.4946	2.2056	1.0906	1.0927	1.0927
C2	1.4998		1.3281	2.1100	2.1086	1.0863	2.1488	2.1493	2.1493
C3	2.5077	1.3281		1.0837	1.0821	2.0844	2.6521	3.2221	3.2221
H4	2.7718	2.1100	1.0837		1.8422	3.0635	2.4631	3.5310	3.5310
H5	3.4946	2.1086	1.0821	1.8422		2.4247	3.7317	4.1342	4.1342
H6	2.2056	1.0863	2.0844	3.0635	2.4247		3.0972	2.5690	2.5690
H7	1.0906	2.1488	2.6521	2.4631	3.7317	3.0972		1.7688	1.7688
H8	1.0927	2.1493	3.2221	3.5310	4.1342	2.5690	1.7688		1.7575
H9	1.0927	2.1493	3.2221	3.5310	4.1342	2.5690	1.7688	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.826	C1	C2	H6	116.131
C2	C1	H7	111.115	C2	C1	H8	111.026
C2	C1	H9	111.026	C2	C3	H4	121.726
C2	C3	H5	121.729	C3	C2	H6	119.043
H4	C3	H5	116.545	H7	C1	H8	108.224
H7	C1	H9	108.224	H8	C1	H9	107.073

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)