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	hartrees
Energy at 0K	-116.694854
Energy at 298.15K
HF Energy	-116.422441
Nuclear repulsion energy	70.256433

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	3109	19.57	50.97	0.60	0.75
2	A'	3182	3037	9.81	104.01	0.15	0.26
3	A'	3169	3025	18.38	30.11	0.22	0.36
4	A'	3148	3005	8.32	68.89	0.75	0.86
5	A'	3075	2935	15.45	101.68	0.01	0.03
6	A'	1700	1623	2.90	5.75	0.60	0.75
7	A'	1600	1527	9.98	18.66	0.73	0.85
8	A'	1530	1461	0.31	13.29	0.58	0.73
9	A'	1494	1426	4.70	9.74	0.62	0.77
10	A'	1386	1323	0.15	12.82	0.52	0.68
11	A'	1235	1179	1.04	4.28	0.75	0.86
12	A'	1010	964	3.87	0.28	0.68	0.81
13	A'	911	869	1.25	4.73	0.22	0.36
14	A'	444	423	0.63	0.96	0.36	0.53
15	A"	3137	2994	20.28	76.06	0.75	0.86
16	A"	1587	1514	6.77	20.69	0.75	0.86
17	A"	1136	1084	0.02	0.40	0.75	0.86
18	A"	1053	1006	17.44	0.23	0.75	0.86
19	A"	960	916	45.39	0.09	0.75	0.86
20	A"	598	571	13.21	15.31	0.75	0.86
21	A"	189	180	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	1.616	-0.892	0.000
H5	2.087	0.894	0.000
H6	-0.281	1.539	0.000
H7	-0.762	-1.536	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		1.5206	2.5336	2.7902	3.5268	2.2250	1.0957	1.0965	1.0965
C2	1.5206		1.3419	2.1241	2.1263	1.0892	2.1611	2.1679	2.1679
C3	2.5336	1.3419		1.0874	1.0857	2.1048	2.6609	3.2464	3.2464
H4	2.7902	2.1241	1.0874		1.8475	3.0835	2.4634	3.5473	3.5473
H5	3.5268	2.1263	1.0857	1.8475		2.4543	3.7445	4.1660	4.1660
H6	2.2250	1.0892	2.1048	3.0835	2.4543		3.1119	2.5888	2.5888
H7	1.0957	2.1611	2.6609	2.4634	3.7445	3.1119		1.7790	1.7790
H8	1.0965	2.1679	3.2464	3.5473	4.1660	2.5888	1.7790		1.7722
H9	1.0965	2.1679	3.2464	3.5473	4.1660	2.5888	1.7790	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.417	C1	C2	H6	116.001
C2	C1	H7	110.330	C2	C1	H8	110.822
C2	C1	H9	110.822	C2	C3	H4	121.586
C2	C3	H5	121.952	C3	C2	H6	119.582
H4	C3	H5	116.461	H7	C1	H8	108.481
H7	C1	H9	108.481	H8	C1	H9	107.815

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)