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	hartrees
Energy at 0K	-117.495152
Energy at 298.15K
HF Energy	-117.070271
Nuclear repulsion energy	70.470828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3099	21.93
2	A'	3176	3024	5.20
3	A'	3164	3014	31.66
4	A'	3140	2990	11.55
5	A'	3056	2910	23.40
6	A'	1746	1662	6.18
7	A'	1546	1472	9.39
8	A'	1494	1423	1.47
9	A'	1458	1388	1.21
10	A'	1352	1287	0.27
11	A'	1222	1163	0.24
12	A'	971	924	3.45
13	A'	950	905	0.82
14	A'	431	410	0.73
15	A"	3118	2969	25.80
16	A"	1531	1458	5.93
17	A"	1099	1046	1.12
18	A"	1025	976	14.24
19	A"	926	882	38.27
20	A"	589	561	9.52
21	A"	194	185	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.143	-0.498	0.000
C2	0.000	0.480	0.000
C3	1.295	0.139	0.000
H4	1.612	-0.904	0.000
H5	2.084	0.888	0.000
H6	-0.270	1.539	0.000
H7	-0.777	-1.532	0.000
H8	-1.781	-0.360	0.884
H9	-1.781	-0.360	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5042	2.5197	2.7841	3.5119	2.2158	1.0966	1.0986	1.0986
C2	1.5042		1.3391	2.1240	2.1235	1.0923	2.1564	2.1581	2.1581
C3	2.5197	1.3391		1.0897	1.0879	2.0993	2.6614	3.2389	3.2389
H4	2.7841	2.1240	1.0897		1.8529	3.0827	2.4694	3.5475	3.5475
H5	3.5119	2.1235	1.0879	1.8529		2.4419	3.7468	4.1563	4.1563
H6	2.2158	1.0923	2.0993	3.0827	2.4419		3.1118	2.5823	2.5823
H7	1.0966	2.1564	2.6614	2.4694	3.7468	3.1118		1.7783	1.7783
H8	1.0986	2.1581	3.2389	3.5475	4.1563	2.5823	1.7783		1.7672
H9	1.0986	2.1581	3.2389	3.5475	4.1563	2.5823	1.7783	1.7672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.693	C1	C2	H6	116.260
C2	C1	H7	111.049	C2	C1	H8	111.067
C2	C1	H9	111.067	C2	C3	H4	121.639
C2	C3	H5	121.736	C3	C2	H6	119.047
H4	C3	H5	116.625	H7	C1	H8	108.209
H7	C1	H9	108.209	H8	C1	H9	107.087

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)