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	hartrees
Energy at 0K	-117.343167
Energy at 298.15K	-117.348671
HF Energy	-117.034333
Nuclear repulsion energy	69.143246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3178	3178
2	A'	3092	3092
3	A'	3072	3072
4	A'	3047	3047
5	A'	2953	2953
6	A'	1645	1645
7	A'	1515	1515
8	A'	1461	1461
9	A'	1439	1439
10	A'	1315	1315
11	A'	1194	1194
12	A'	952	952
13	A'	903	903
14	A'	412	412
15	A"	3025	3025
16	A"	1495	1495
17	A"	1079	1079
18	A"	973	973
19	A"	839	839
20	A"	560	560
21	A"	187	187

Atom	x (Å)	y (Å)	z (Å)
C1	-1.173	-0.505	0.000
C2	0.000	0.490	0.000
C3	1.327	0.137	0.000
H4	1.643	-0.917	0.000
H5	2.125	0.892	0.000
H6	-0.267	1.561	0.000
H7	-0.802	-1.550	0.000
H8	-1.813	-0.359	0.896
H9	-1.813	-0.359	-0.896

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5379	2.5807	2.8454	3.5812	2.2557	1.1095	1.1112	1.1112
C2	1.5379		1.3735	2.1634	2.1626	1.1036	2.1927	2.1938	2.1938
C3	2.5807	1.3735		1.1002	1.0989	2.1377	2.7165	3.3031	3.3031
H4	2.8454	2.1634	1.1002		1.8728	3.1288	2.5254	3.6135	3.6135
H5	3.5812	2.1626	1.0989	1.8728		2.4834	3.8123	4.2282	4.2282
H6	2.2557	1.1036	2.1377	3.1288	2.4834		3.1573	2.6236	2.6236
H7	1.1095	2.1927	2.7165	2.5254	3.8123	3.1573		1.8012	1.8012
H8	1.1112	2.1938	3.3031	3.6135	4.2282	2.6236	1.8012		1.7927
H9	1.1112	2.1938	3.3031	3.6135	4.2282	2.6236	1.8012	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.761	C1	C2	H6	116.327
C2	C1	H7	110.802	C2	C1	H8	110.786
C2	C1	H9	110.786	C2	C3	H4	121.591
C2	C3	H5	121.623	C3	C2	H6	118.912
H4	C3	H5	116.785	H7	C1	H8	108.408
H7	C1	H9	108.408	H8	C1	H9	107.540

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/LANL2DZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)