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	hartrees
Energy at 0K	-20.116738
Energy at 298.15K	-20.122290
HF Energy	-19.874370
Nuclear repulsion energy	39.443210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3057	54.83
2	A'	3156	2975	24.07
3	A'	3135	2956	71.60
4	A'	3126	2947	1.22
5	A'	3024	2851	42.04
6	A'	1665	1570	5.70
7	A'	1527	1440	13.17
8	A'	1475	1391	3.13
9	A'	1450	1367	1.80
10	A'	1331	1255	0.09
11	A'	1206	1137	0.99
12	A'	955	901	4.99
13	A'	920	867	0.80
14	A'	416	392	0.56
15	A"	3113	2934	53.82
16	A"	1503	1417	10.86
17	A"	1090	1028	3.65
18	A"	1010	952	38.16
19	A"	865	815	63.11
20	A"	579	546	16.64
21	A"	188	178	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	-1.181	-0.494	0.000
C2	0.000	0.499	0.000
C3	1.337	0.118	0.000
H4	1.636	-0.942	0.000
H5	2.142	0.871	0.000
H6	-0.251	1.575	0.000
H7	-0.815	-1.543	0.000
H8	-1.823	-0.349	0.897
H9	-1.823	-0.349	-0.897

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5435	2.5915	2.8525	3.5930	2.2690	1.1104	1.1126	1.1126
C2	1.5435		1.3901	2.1803	2.1742	1.1049	2.1987	2.2018	2.2018
C3	2.5915	1.3901		1.1015	1.1027	2.1552	2.7185	3.3179	3.3179
H4	2.8525	2.1803	1.1015		1.8827	3.1461	2.5238	3.6223	3.6223
H5	3.5930	2.1742	1.1027	1.8827		2.4946	3.8177	4.2446	4.2446
H6	2.2690	1.1049	2.1552	3.1461	2.4946		3.1686	2.6417	2.6417
H7	1.1104	2.1987	2.7185	2.5238	3.8177	3.1686		1.8014	1.8014
H8	1.1126	2.2018	3.3179	3.6223	4.2446	2.6417	1.8014		1.7943
H9	1.1126	2.2018	3.3179	3.6223	4.2446	2.6417	1.8014	1.7943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.018	C1	C2	H6	116.932
C2	C1	H7	110.831	C2	C1	H8	110.940
C2	C1	H9	110.940	C2	C3	H4	121.668
C2	C3	H5	120.997	C3	C2	H6	119.051
H4	C3	H5	117.335	H7	C1	H8	108.263
H7	C1	H9	108.263	H8	C1	H9	107.477

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/CEP-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: MP2=FULL/CEP-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)