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	hartrees
Energy at 0K	-117.720522
Energy at 298.15K
HF Energy	-117.120044
Nuclear repulsion energy	70.946859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3252	14.90
2	A'	3176	3176	9.07
3	A'	3163	3163	15.98
4	A'	3135	3135	11.81
5	A'	3053	3053	21.26
6	A'	1733	1733	10.59
7	A'	1518	1518	13.06
8	A'	1479	1479	0.76
9	A'	1431	1431	1.55
10	A'	1345	1345	0.11
11	A'	1210	1210	0.19
12	A'	958	958	2.84
13	A'	943	943	1.97
14	A'	427	427	0.87
15	A"	3110	3110	17.51
16	A"	1505	1505	6.20
17	A"	1090	1090	3.75
18	A"	1036	1036	13.25
19	A"	956	956	42.14
20	A"	600	600	11.36
21	A"	204	204	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.499	0.000
C2	0.000	0.478	0.000
C3	1.287	0.141	0.000
H4	1.596	-0.894	0.000
H5	2.065	0.889	0.000
H6	-0.266	1.527	0.000
H7	-0.769	-1.523	0.000
H8	-1.768	-0.360	0.876
H9	-1.768	-0.360	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4980	2.5057	2.7599	3.4882	2.2051	1.0875	1.0894	1.0894
C2	1.4980		1.3302	2.1045	2.1051	1.0823	2.1437	2.1435	2.1435
C3	2.5057	1.3302		1.0804	1.0786	2.0810	2.6454	3.2171	3.2171
H4	2.7599	2.1045	1.0804		1.8434	3.0540	2.4474	3.5166	3.5166
H5	3.4882	2.1051	1.0786	1.8434		2.4160	3.7213	4.1248	4.1248
H6	2.2051	1.0823	2.0810	3.0540	2.4160		3.0915	2.5662	2.5662
H7	1.0875	2.1437	2.6454	2.4474	3.7213	3.0915		1.7656	1.7656
H8	1.0894	2.1435	3.2171	3.5166	4.1248	2.5662	1.7656		1.7527
H9	1.0894	2.1435	3.2171	3.5166	4.1248	2.5662	1.7656	1.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.637	C1	C2	H6	116.507
C2	C1	H7	111.027	C2	C1	H8	110.888
C2	C1	H9	110.888	C2	C3	H4	121.271
C2	C3	H5	121.480	C3	C2	H6	118.857
H4	C3	H5	117.248	H7	C1	H8	108.400
H7	C1	H9	108.400	H8	C1	H9	107.103

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD=FULL/Def2TZVPP

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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)