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	hartrees
Energy at 0K	-116.699751
Energy at 298.15K
HF Energy	-116.422474
Nuclear repulsion energy	70.267515

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'	3258	3089	19.48	50.93	0.60	0.75
2	A'	3182	3017	9.78	103.87	0.15	0.26
3	A'	3169	3005	18.30	30.14	0.22	0.36
4	A'	3149	2985	8.23	68.83	0.75	0.86
5	A'	3075	2915	15.38	101.63	0.01	0.03
6	A'	1701	1612	2.91	5.71	0.60	0.75
7	A'	1600	1517	10.02	18.64	0.73	0.85
8	A'	1531	1451	0.30	13.34	0.58	0.73
9	A'	1494	1416	4.74	9.75	0.62	0.77
10	A'	1386	1314	0.15	12.81	0.52	0.68
11	A'	1235	1171	1.05	4.28	0.75	0.86
12	A'	1010	958	3.88	0.28	0.68	0.81
13	A'	911	864	1.26	4.72	0.22	0.36
14	A'	444	421	0.63	0.96	0.36	0.53
15	A"	3138	2974	20.17	75.99	0.75	0.86
16	A"	1587	1504	6.80	20.68	0.75	0.86
17	A"	1136	1077	0.02	0.40	0.75	0.86
18	A"	1054	999	17.41	0.23	0.75	0.86
19	A"	961	911	45.42	0.09	0.75	0.86
20	A"	598	567	13.21	15.30	0.75	0.86
21	A"	189	179	0.41	2.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.148	-0.510	0.000
C2	0.000	0.487	0.000
C3	1.298	0.148	0.000
H4	1.615	-0.892	0.000
H5	2.087	0.894	0.000
H6	-0.281	1.539	0.000
H7	-0.762	-1.535	0.000
H8	-1.780	-0.377	0.886
H9	-1.780	-0.377	-0.886

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5203	2.5332	2.7898	3.5263	2.2246	1.0956	1.0964	1.0964
C2	1.5203		1.3417	2.1237	2.1261	1.0890	2.1608	2.1676	2.1676
C3	2.5332	1.3417		1.0873	1.0855	2.1044	2.6605	3.2459	3.2459
H4	2.7898	2.1237	1.0873		1.8472	3.0831	2.4631	3.5468	3.5468
H5	3.5263	2.1261	1.0855	1.8472		2.4539	3.7440	4.1654	4.1654
H6	2.2246	1.0890	2.1044	3.0831	2.4539		3.1115	2.5885	2.5885
H7	1.0956	2.1608	2.6605	2.4631	3.7440	3.1115		1.7787	1.7787
H8	1.0964	2.1676	3.2459	3.5468	4.1654	2.5885	1.7787		1.7719
H9	1.0964	2.1676	3.2459	3.5468	4.1654	2.5885	1.7787	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.418	C1	C2	H6	116.003
C2	C1	H7	110.334	C2	C1	H8	110.826
C2	C1	H9	110.826	C2	C3	H4	121.586
C2	C3	H5	121.957	C3	C2	H6	119.579
H4	C3	H5	116.457	H7	C1	H8	108.476
H7	C1	H9	108.476	H8	C1	H9	107.811

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)