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	hartrees
Energy at 0K	-115.865149
Energy at 298.15K	-115.870621
HF Energy	-115.656525
Nuclear repulsion energy	69.699480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3587	3587	0.71
2	A'	3525	3525	1.95
3	A'	3489	3489	2.41
4	A'	3442	3442	5.82
5	A'	3351	3351	2.31
6	A'	1880	1880	0.74
7	A'	1718	1718	1.92
8	A'	1630	1630	0.61
9	A'	1595	1595	3.30
10	A'	1439	1439	1.89
11	A'	1303	1303	0.83
12	A'	1040	1040	1.96
13	A'	1009	1009	0.05
14	A'	440	440	0.28
15	A"	3500	3500	2.26
16	A"	1712	1712	1.70
17	A"	1185	1185	0.09
18	A"	1123	1123	3.58
19	A"	1009	1009	10.74
20	A"	617	617	2.98
21	A"	168	168	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.151	-0.530	0.000
C2	0.000	0.491	0.000
C3	1.303	0.166	0.000
H4	1.641	-0.881	0.000
H5	2.092	0.931	0.000
H6	-0.302	1.552	0.000
H7	-0.760	-1.564	0.000
H8	-1.791	-0.398	0.893
H9	-1.791	-0.398	-0.893

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5387	2.5506	2.8135	3.5571	2.2490	1.1046	1.1069	1.1069
C2	1.5387		1.3427	2.1385	2.1379	1.1032	2.1903	2.1897	2.1897
C3	2.5506	1.3427		1.0999	1.0994	2.1203	2.6917	3.2691	3.2691
H4	2.8135	2.1385	1.0999		1.8675	3.1131	2.4957	3.5788	3.5788
H5	3.5571	2.1379	1.0994	1.8675		2.4727	3.7891	4.2002	4.2002
H6	2.2490	1.1032	2.1203	3.1131	2.4727		3.1490	2.6110	2.6110
H7	1.1046	2.1903	2.6917	2.4957	3.7891	3.1490		1.7946	1.7946
H8	1.1069	2.1897	3.2691	3.5788	4.2002	2.6110	1.7946		1.7865
H9	1.1069	2.1897	3.2691	3.5788	4.2002	2.6110	1.7946	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.411	C1	C2	H6	115.720
C2	C1	H7	110.848	C2	C1	H8	110.664
C2	C1	H9	110.664	C2	C3	H4	121.896
C2	C3	H5	121.869	C3	C2	H6	119.869
H4	C3	H5	116.234	H7	C1	H8	108.481
H7	C1	H9	108.481	H8	C1	H9	107.600

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CISD/STO-3G

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: CISD/STO-3G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)