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	hartrees
Energy at 0K	-117.519080
Energy at 298.15K
HF Energy	-117.081119
Nuclear repulsion energy	70.870413

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'	3343	3123	16.63	53.46	0.65	0.79
2	A'	3248	3035	11.15	117.60	0.11	0.20
3	A'	3238	3025	24.26	26.96	0.31	0.48
4	A'	3225	3014	4.36	76.28	0.74	0.85
5	A'	3122	2918	20.11	123.17	0.02	0.03
6	A'	1749	1634	5.20	3.80	0.13	0.24
7	A'	1558	1456	8.83	14.92	0.72	0.84
8	A'	1504	1405	1.06	17.88	0.57	0.73
9	A'	1460	1364	0.97	5.67	0.74	0.85
10	A'	1356	1267	0.36	13.16	0.47	0.64
11	A'	1226	1146	0.15	3.17	0.73	0.85
12	A'	971	908	3.75	0.65	0.43	0.60
13	A'	959	896	0.79	4.65	0.21	0.35
14	A'	430	402	0.76	0.93	0.38	0.56
15	A"	3205	2995	20.52	80.26	0.75	0.86
16	A"	1542	1441	5.27	15.87	0.75	0.86
17	A"	1101	1029	1.46	0.28	0.75	0.86
18	A"	1049	980	13.32	0.24	0.75	0.86
19	A"	932	871	35.34	0.06	0.75	0.86
20	A"	593	554	8.99	12.46	0.75	0.86
21	A"	201	188	0.38	1.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.138	-0.491	0.000
C2	0.000	0.480	0.000
C3	1.290	0.132	0.000
H4	1.592	-0.906	0.000
H5	2.075	0.873	0.000
H6	-0.260	1.532	0.000
H7	-0.775	-1.517	0.000
H8	-1.771	-0.353	0.876
H9	-1.771	-0.353	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4960	2.5068	2.7617	3.4907	2.2060	1.0879	1.0897	1.0897
C2	1.4960		1.3358	2.1105	2.1118	1.0841	2.1416	2.1443	2.1443
C3	2.5068	1.3358		1.0811	1.0794	2.0882	2.6427	3.2206	3.2206
H4	2.7617	2.1105	1.0811		1.8431	3.0614	2.4451	3.5191	3.5191
H5	3.4907	2.1118	1.0794	1.8431		2.4257	3.7195	4.1307	4.1307
H6	2.2060	1.0841	2.0882	3.0614	2.4257		3.0923	2.5706	2.5706
H7	1.0879	2.1416	2.6427	2.4451	3.7195	3.0923		1.7643	1.7643
H8	1.0897	2.1443	3.2206	3.5191	4.1307	2.5706	1.7643		1.7528
H9	1.0897	2.1443	3.2206	3.5191	4.1307	2.5706	1.7643	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.466	C1	C2	H6	116.611
C2	C1	H7	110.974	C2	C1	H8	111.083
C2	C1	H9	111.083	C2	C3	H4	121.312
C2	C3	H5	121.588	C3	C2	H6	118.923
H4	C3	H5	117.100	H7	C1	H8	108.236
H7	C1	H9	108.236	H8	C1	H9	107.078

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)