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	hartrees
Energy at 0K	-117.485679
Energy at 298.15K
HF Energy	-117.070705
Nuclear repulsion energy	70.635908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3089	19.38
2	A'	3211	3014	6.05
3	A'	3201	3004	26.84
4	A'	3179	2984	9.84
5	A'	3093	2903	20.02
6	A'	1771	1662	5.99
7	A'	1556	1461	10.43
8	A'	1505	1412	1.51
9	A'	1467	1377	1.61
10	A'	1363	1279	0.31
11	A'	1230	1155	0.27
12	A'	977	917	3.89
13	A'	958	900	0.85
14	A'	434	407	0.80
15	A"	3158	2964	22.30
16	A"	1541	1446	6.62
17	A"	1106	1038	1.12
18	A"	1037	974	14.88
19	A"	933	876	40.48
20	A"	594	557	10.20
21	A"	198	186	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.140	-0.499	0.000
C2	0.000	0.480	0.000
C3	1.291	0.141	0.000
H4	1.607	-0.899	0.000
H5	2.078	0.888	0.000
H6	-0.271	1.536	0.000
H7	-0.770	-1.529	0.000
H8	-1.776	-0.363	0.882
H9	-1.776	-0.363	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5025	2.5133	2.7758	3.5038	2.2125	1.0941	1.0959	1.0959
C2	1.5025		1.3348	2.1180	2.1176	1.0898	2.1518	2.1545	2.1545
C3	2.5133	1.3348		1.0872	1.0854	2.0940	2.6529	3.2307	3.2307
H4	2.7758	2.1180	1.0872		1.8487	3.0752	2.4596	3.5373	3.5373
H5	3.5038	2.1176	1.0854	1.8487		2.4363	3.7359	4.1467	4.1467
H6	2.2125	1.0898	2.0940	3.0752	2.4363		3.1052	2.5780	2.5780
H7	1.0941	2.1518	2.6529	2.4596	3.7359	3.1052		1.7747	1.7747
H8	1.0959	2.1545	3.2307	3.5373	4.1467	2.5780	1.7747		1.7632
H9	1.0959	2.1545	3.2307	3.5373	4.1467	2.5780	1.7747	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.602	C1	C2	H6	116.281
C2	C1	H7	110.956	C2	C1	H8	111.054
C2	C1	H9	111.054	C2	C3	H4	121.637
C2	C3	H5	121.743	C3	C2	H6	119.116
H4	C3	H5	116.620	H7	C1	H8	108.260
H7	C1	H9	108.260	H8	C1	H9	107.112

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)