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	hartrees
Energy at 0K	-117.659781
Energy at 298.15K
HF Energy	-117.120006
Nuclear repulsion energy	70.912496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3277	14.25
2	A'	3200	3200	10.80
3	A'	3185	3185	12.62
4	A'	3159	3159	11.43
5	A'	3075	3075	19.49
6	A'	1742	1742	10.63
7	A'	1517	1517	13.54
8	A'	1477	1477	0.83
9	A'	1428	1428	1.67
10	A'	1344	1344	0.15
11	A'	1208	1208	0.20
12	A'	955	955	2.68
13	A'	944	944	2.43
14	A'	425	425	0.92
15	A"	3136	3136	16.14
16	A"	1503	1503	6.49
17	A"	1084	1084	4.13
18	A"	1037	1037	13.77
19	A"	952	952	42.23
20	A"	597	597	11.57
21	A"	203	203	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.500	0.000
C2	0.000	0.479	0.000
C3	1.287	0.142	0.000
H4	1.595	-0.894	0.000
H5	2.065	0.890	0.000
H6	-0.266	1.529	0.000
H7	-0.767	-1.524	0.000
H8	-1.768	-0.362	0.876
H9	-1.768	-0.362	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4994	2.5060	2.7589	3.4894	2.2078	1.0881	1.0900	1.0900
C2	1.4994		1.3303	2.1050	2.1055	1.0831	2.1454	2.1456	2.1456
C3	2.5060	1.3303		1.0814	1.0794	2.0821	2.6453	3.2184	3.2184
H4	2.7589	2.1050	1.0814		1.8454	3.0557	2.4453	3.5165	3.5165
H5	3.4894	2.1055	1.0794	1.8454		2.4169	3.7220	4.1270	4.1270
H6	2.2078	1.0831	2.0821	3.0557	2.4169		3.0943	2.5696	2.5696
H7	1.0881	2.1454	2.6453	2.4453	3.7220	3.0943		1.7665	1.7665
H8	1.0900	2.1456	3.2184	3.5165	4.1270	2.5696	1.7665		1.7529
H9	1.0900	2.1456	3.2184	3.5165	4.1270	2.5696	1.7665	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.544	C1	C2	H6	116.568
C2	C1	H7	111.022	C2	C1	H8	110.922
C2	C1	H9	110.922	C2	C3	H4	121.242
C2	C3	H5	121.451	C3	C2	H6	118.888
H4	C3	H5	117.307	H7	C1	H8	108.395
H7	C1	H9	108.395	H8	C1	H9	107.045

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/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: MP3/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)