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	hartrees
Energy at 0K	-20.358804
Energy at 298.15K	-20.364357
HF Energy	-19.937151
Nuclear repulsion energy	40.222774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3258	24.88
2	A'	3176	3176	19.37
3	A'	3161	3161	21.84
4	A'	3146	3146	12.80
5	A'	3052	3052	27.46
6	A'	1717	1717	8.82
7	A'	1531	1531	12.83
8	A'	1478	1478	2.36
9	A'	1442	1442	1.13
10	A'	1329	1329	0.18
11	A'	1207	1207	0.31
12	A'	953	953	2.85
13	A'	936	936	1.12
14	A'	425	425	0.73
15	A"	3124	3124	27.78
16	A"	1511	1511	8.10
17	A"	1081	1081	5.14
18	A"	1006	1006	24.11
19	A"	854	854	51.46
20	A"	570	570	10.75
21	A"	184	184	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.149	-0.503	0.000
C2	0.000	0.486	0.000
C3	1.301	0.139	0.000
H4	1.612	-0.904	0.000
H5	2.088	0.889	0.000
H6	-0.267	1.544	0.000
H7	-0.777	-1.534	0.000
H8	-1.784	-0.363	0.884
H9	-1.784	-0.363	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5164	2.5329	2.7900	3.5241	2.2298	1.0953	1.0974	1.0974
C2	1.5164		1.3463	2.1288	2.1268	1.0914	2.1640	2.1644	2.1644
C3	2.5329	1.3463		1.0891	1.0871	2.1052	2.6677	3.2480	3.2480
H4	2.7900	2.1288	1.0891		1.8554	3.0864	2.4705	3.5505	3.5505
H5	3.5241	2.1268	1.0871	1.8554		2.4447	3.7522	4.1644	4.1644
H6	2.2298	1.0914	2.1052	3.0864	2.4447		3.1200	2.5926	2.5926
H7	1.0953	2.1640	2.6677	2.4705	3.7522	3.1200		1.7791	1.7791
H8	1.0974	2.1644	3.2480	3.5505	4.1644	2.5926	1.7791		1.7683
H9	1.0974	2.1644	3.2480	3.5505	4.1644	2.5926	1.7791	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.345	C1	C2	H6	116.582
C2	C1	H7	110.878	C2	C1	H8	110.787
C2	C1	H9	110.787	C2	C3	H4	121.519
C2	C3	H5	121.491	C3	C2	H6	119.072
H4	C3	H5	116.990	H7	C1	H8	108.462
H7	C1	H9	108.462	H8	C1	H9	107.350

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)