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	hartrees
Energy at 0K	-117.302288
Energy at 298.15K	-117.307901
HF Energy	-117.037261
Nuclear repulsion energy	69.747098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3024	42.16
2	A'	3190	2947	17.71
3	A'	3166	2926	33.73
4	A'	3140	2902	22.62
5	A'	3045	2814	35.22
6	A'	1731	1600	8.83
7	A'	1555	1436	15.27
8	A'	1506	1392	2.53
9	A'	1480	1367	5.09
10	A'	1362	1258	0.00
11	A'	1232	1138	1.22
12	A'	980	906	4.04
13	A'	938	866	1.27
14	A'	428	396	0.56
15	A"	3118	2881	42.31
16	A"	1535	1419	9.89
17	A"	1117	1032	1.56
18	A"	1034	955	26.08
19	A"	929	859	58.35
20	A"	593	548	15.43
21	A"	191	176	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-1.160	-0.509	0.000
C2	0.000	0.485	0.000
C3	1.313	0.146	0.000
H4	1.637	-0.897	0.000
H5	2.100	0.902	0.000
H6	-0.274	1.545	0.000
H7	-0.790	-1.546	0.000
H8	-1.797	-0.369	0.889
H9	-1.797	-0.369	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5276	2.5582	2.8233	3.5517	2.2374	1.1011	1.1029	1.1029
C2	1.5276		1.3562	2.1422	2.1408	1.0951	2.1795	2.1791	2.1791
C3	2.5582	1.3562		1.0920	1.0907	2.1159	2.6994	3.2753	3.2753
H4	2.8233	2.1422	1.0920		1.8571	3.1009	2.5121	3.5860	3.5860
H5	3.5517	2.1408	1.0907	1.8571		2.4595	3.7872	4.1938	4.1938
H6	2.2374	1.0951	2.1159	3.1009	2.4595		3.1344	2.6027	2.6027
H7	1.1011	2.1795	2.6994	2.5121	3.7872	3.1344		1.7864	1.7864
H8	1.1029	2.1791	3.2753	3.5860	4.1938	2.6027	1.7864		1.7787
H9	1.1029	2.1791	3.2753	3.5860	4.1938	2.6027	1.7864	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.917	C1	C2	H6	116.124
C2	C1	H7	110.982	C2	C1	H8	110.835
C2	C1	H9	110.835	C2	C3	H4	121.717
C2	C3	H5	121.681	C3	C2	H6	118.959
H4	C3	H5	116.602	H7	C1	H8	108.293
H7	C1	H9	108.293	H8	C1	H9	107.479

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/LANL2DZ

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: CID/LANL2DZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)