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	hartrees
Energy at 0K	-117.782189
Energy at 298.15K	-117.777078
HF Energy	-117.071471
Nuclear repulsion energy	71.096442

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'	3404	3207	29.26	64.44	0.63	0.77
2	A'	3333	3140	7.09	152.68	0.17	0.29
3	A'	3319	3128	36.21	16.95	0.61	0.76
4	A'	3273	3084	21.53	74.93	0.74	0.85
5	A'	3194	3010	35.99	140.61	0.04	0.07
6	A'	1881	1772	9.99	22.11	0.15	0.26
7	A'	1639	1545	9.03	14.56	0.73	0.84
8	A'	1595	1502	0.86	24.19	0.58	0.74
9	A'	1555	1466	1.05	5.46	0.72	0.84
10	A'	1444	1360	0.24	24.56	0.41	0.58
11	A'	1297	1223	0.26	4.13	0.75	0.86
12	A'	1030	970	2.50	0.28	0.61	0.76
13	A'	986	929	1.37	9.10	0.20	0.34
14	A'	456	429	0.97	1.58	0.43	0.61
15	A"	3242	3055	40.00	102.56	0.75	0.86
16	A"	1625	1532	5.33	16.90	0.75	0.86
17	A"	1188	1119	3.18	1.57	0.75	0.86
18	A"	1129	1063	8.20	0.73	0.75	0.86
19	A"	1069	1007	51.98	1.81	0.75	0.86
20	A"	641	604	10.28	13.88	0.75	0.86
21	A"	211	199	0.24	2.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.140	-0.492	0.000
C2	0.000	0.479	0.000
C3	1.291	0.134	0.000
H4	1.599	-0.908	0.000
H5	2.080	0.877	0.000
H6	-0.263	1.537	0.000
H7	-0.775	-1.523	0.000
H8	-1.776	-0.354	0.880
H9	-1.776	-0.354	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4976	2.5101	2.7703	3.4992	2.2102	1.0931	1.0949	1.0949
C2	1.4976		1.3367	2.1173	2.1182	1.0893	2.1470	2.1501	2.1501
C3	2.5101	1.3367		1.0863	1.0846	2.0936	2.6482	3.2278	3.2278
H4	2.7703	2.1173	1.0863		1.8493	3.0730	2.4527	3.5317	3.5317
H5	3.4992	2.1182	1.0846	1.8493		2.4341	3.7303	4.1426	4.1426
H6	2.2102	1.0893	2.0936	3.0730	2.4341		3.1019	2.5765	2.5765
H7	1.0931	2.1470	2.6482	2.4527	3.7303	3.1019		1.7726	1.7726
H8	1.0949	2.1501	3.2278	3.5317	4.1426	2.5765	1.7726		1.7608
H9	1.0949	2.1501	3.2278	3.5317	4.1426	2.5765	1.7726	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.238	C1	C2	H6	115.866
C2	C1	H7	111.435	C2	C1	H8	110.898
C2	C1	H9	110.898	C2	C3	H4	121.862
C2	C3	H5	121.639	C3	C2	H6	118.895
H4	C3	H5	116.499	H7	C1	H8	108.210
H7	C1	H9	108.210	H8	C1	H9	107.027

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)