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	hartrees
Energy at 0K	-117.304283
Energy at 298.15K
HF Energy	-117.026909
Nuclear repulsion energy	70.244183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3067	30.35
2	A'	3192	2994	5.27
3	A'	3177	2979	35.02
4	A'	3142	2947	16.86
5	A'	3065	2874	27.84
6	A'	1762	1652	5.75
7	A'	1581	1483	9.89
8	A'	1529	1434	1.09
9	A'	1504	1411	3.21
10	A'	1391	1304	0.20
11	A'	1249	1172	0.63
12	A'	1005	943	3.07
13	A'	952	893	1.01
14	A'	443	415	0.62
15	A"	3123	2929	32.12
16	A"	1564	1466	7.32
17	A"	1140	1069	0.83
18	A"	1054	988	15.79
19	A"	979	918	49.58
20	A"	608	570	11.51
21	A"	191	179	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.148	-0.505	0.000
C2	0.000	0.482	0.000
C3	1.301	0.147	0.000
H4	1.626	-0.893	0.000
H5	2.087	0.897	0.000
H6	-0.279	1.537	0.000
H7	-0.777	-1.538	0.000
H8	-1.786	-0.371	0.885
H9	-1.786	-0.371	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5142	2.5345	2.8012	3.5264	2.2196	1.0972	1.0987	1.0987
C2	1.5142		1.3432	2.1288	2.1282	1.0914	2.1637	2.1678	2.1678
C3	2.5345	1.3432		1.0890	1.0868	2.1040	2.6749	3.2524	3.2524
H4	2.8012	2.1288	1.0890		1.8479	3.0869	2.4881	3.5628	3.5628
H5	3.5264	2.1282	1.0868	1.8479		2.4510	3.7592	4.1703	4.1703
H6	2.2196	1.0914	2.1040	3.0869	2.4510		3.1147	2.5876	2.5876
H7	1.0972	2.1637	2.6749	2.4881	3.7592	3.1147		1.7778	1.7778
H8	1.0987	2.1678	3.2524	3.5628	4.1703	2.5876	1.7778		1.7697
H9	1.0987	2.1678	3.2524	3.5628	4.1703	2.5876	1.7778	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.890	C1	C2	H6	115.880
C2	C1	H7	110.893	C2	C1	H8	111.135
C2	C1	H9	111.135	C2	C3	H4	121.806
C2	C3	H5	121.920	C3	C2	H6	119.229
H4	C3	H5	116.274	H7	C1	H8	108.116
H7	C1	H9	108.116	H8	C1	H9	107.297

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)