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	hartrees
Energy at 0K	-117.599077
Energy at 298.15K
HF Energy	-117.101909
Nuclear repulsion energy	70.347405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3236	3138
2	A'	3151	3056
3	A'	3140	3045
4	A'	3121	3026
5	A'	3033	2941
6	A'	1686	1635
7	A'	1508	1462
8	A'	1455	1411
9	A'	1416	1373
10	A'	1314	1274
11	A'	1191	1155
12	A'	943	914
13	A'	930	902
14	A'	418	405
15	A"	3100	3006
16	A"	1491	1446
17	A"	1068	1035
18	A"	1007	976
19	A"	889	863
20	A"	572	555
21	A"	195	190

Atom	x (Å)	y (Å)	z (Å)
C1	-1.146	-0.497	0.000
C2	0.000	0.483	0.000
C3	1.299	0.135	0.000
H4	1.604	-0.911	0.000
H5	2.088	0.884	0.000
H6	-0.264	1.543	0.000
H7	-0.778	-1.530	0.000
H8	-1.782	-0.355	0.885
H9	-1.782	-0.355	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5082	2.5254	2.7814	3.5164	2.2226	1.0967	1.0984	1.0984
C2	1.5082		1.3445	2.1253	2.1257	1.0923	2.1583	2.1588	2.1588
C3	2.5254	1.3445		1.0898	1.0878	2.1035	2.6620	3.2423	3.2423
H4	2.7814	2.1253	1.0898		1.8590	3.0843	2.4614	3.5434	3.5434
H5	3.5164	2.1257	1.0878	1.8590		2.4423	3.7471	4.1582	4.1582
H6	2.2226	1.0923	2.1035	3.0843	2.4423		3.1158	2.5864	2.5864
H7	1.0967	2.1583	2.6620	2.4614	3.7471	3.1158		1.7805	1.7805
H8	1.0984	2.1588	3.2423	3.5434	4.1582	2.5864	1.7805		1.7694
H9	1.0984	2.1588	3.2423	3.5434	4.1582	2.5864	1.7805	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.469	C1	C2	H6	116.539
C2	C1	H7	110.917	C2	C1	H8	110.846
C2	C1	H9	110.846	C2	C3	H4	121.275
C2	C3	H5	121.485	C3	C2	H6	118.992
H4	C3	H5	117.240	H7	C1	H8	108.405
H7	C1	H9	108.405	H8	C1	H9	107.298

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)