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	hartrees
Energy at 0K	-117.565283
Energy at 298.15K
HF Energy	-117.087252
Nuclear repulsion energy	70.796508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3309	3125	9.22	49.85	0.65	0.79
2	A'	3221	3042	10.16	98.89	0.12	0.21
3	A'	3209	3031	11.36	41.35	0.23	0.37
4	A'	3198	3020	3.18	71.52	0.74	0.85
5	A'	3097	2925	14.30	121.04	0.02	0.03
6	A'	1715	1620	6.50	4.59	0.07	0.12
7	A'	1524	1439	10.96	12.70	0.70	0.82
8	A'	1469	1387	1.25	17.18	0.55	0.71
9	A'	1424	1345	1.42	4.37	0.74	0.85
10	A'	1336	1262	0.33	12.51	0.46	0.63
11	A'	1204	1137	0.25	2.48	0.70	0.82
12	A'	951	899	5.75	2.01	0.24	0.39
13	A'	946	893	0.03	3.46	0.15	0.26
14	A'	422	399	0.85	1.05	0.38	0.55
15	A"	3175	2999	11.96	75.25	0.75	0.86
16	A"	1511	1428	5.79	12.40	0.75	0.86
17	A"	1079	1019	1.54	0.13	0.75	0.86
18	A"	1048	990	10.41	0.18	0.75	0.86
19	A"	948	895	33.52	0.13	0.75	0.86
20	A"	594	561	9.35	8.37	0.75	0.86
21	A"	208	196	0.38	1.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.137	-0.496	0.000
C2	0.000	0.479	0.000
C3	1.290	0.137	0.000
H4	1.596	-0.903	0.000
H5	2.074	0.882	0.000
H6	-0.264	1.533	0.000
H7	-0.774	-1.524	0.000
H8	-1.773	-0.357	0.877
H9	-1.773	-0.357	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4978	2.5080	2.7632	3.4944	2.2085	1.0907	1.0928	1.0928
C2	1.4978		1.3344	2.1111	2.1129	1.0865	2.1477	2.1481	2.1481
C3	2.5080	1.3344		1.0837	1.0820	2.0892	2.6491	3.2244	3.2244
H4	2.7632	2.1111	1.0837		1.8478	3.0649	2.4500	3.5243	3.5243
H5	3.4944	2.1129	1.0820	1.8478		2.4274	3.7285	4.1363	4.1363
H6	2.2085	1.0865	2.0892	3.0649	2.4274		3.0994	2.5728	2.5728
H7	1.0907	2.1477	2.6491	2.4500	3.7285	3.0994		1.7696	1.7696
H8	1.0928	2.1481	3.2244	3.5243	4.1363	2.5728	1.7696		1.7550
H9	1.0928	2.1481	3.2244	3.5243	4.1363	2.5728	1.7696	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.527	C1	C2	H6	116.521
C2	C1	H7	111.157	C2	C1	H8	111.064
C2	C1	H9	111.064	C2	C3	H4	121.278
C2	C3	H5	121.597	C3	C2	H6	118.952
H4	C3	H5	117.125	H7	C1	H8	108.278
H7	C1	H9	108.278	H8	C1	H9	106.837

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)