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	hartrees
Energy at 0K	-117.645952
Energy at 298.15K	-117.651574
HF Energy	-117.087181
Nuclear repulsion energy	70.715845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3275	3275
2	A'	3194	3194
3	A'	3182	3182
4	A'	3164	3164
5	A'	3073	3073
6	A'	1710	1710
7	A'	1530	1530
8	A'	1471	1471
9	A'	1430	1430
10	A'	1334	1334
11	A'	1206	1206
12	A'	954	954
13	A'	942	942
14	A'	420	420
15	A"	3139	3139
16	A"	1520	1520
17	A"	1080	1080
18	A"	1030	1030
19	A"	933	933
20	A"	588	588
21	A"	206	206

Atom	x (Å)	y (Å)	z (Å)
C1	-1.139	-0.497	0.000
C2	0.000	0.478	0.000
C3	1.292	0.140	0.000
H4	1.606	-0.899	0.000
H5	2.076	0.886	0.000
H6	-0.269	1.531	0.000
H7	-0.778	-1.527	0.000
H8	-1.775	-0.357	0.878
H9	-1.775	-0.357	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4999	2.5134	2.7741	3.5004	2.2072	1.0911	1.0932	1.0932
C2	1.4999		1.3357	2.1151	2.1157	1.0869	2.1507	2.1492	2.1492
C3	2.5134	1.3357		1.0845	1.0827	2.0916	2.6575	3.2286	3.2286
H4	2.7741	2.1151	1.0845		1.8458	3.0691	2.4651	3.5345	3.5345
H5	3.5004	2.1157	1.0827	1.8458		2.4324	3.7375	4.1408	4.1408
H6	2.2072	1.0869	2.0916	3.0691	2.4324		3.1001	2.5697	2.5697
H7	1.0911	2.1507	2.6575	2.4651	3.7375	3.1001		1.7702	1.7702
H8	1.0932	2.1492	3.2286	3.5345	4.1408	2.5697	1.7702		1.7566
H9	1.0932	2.1492	3.2286	3.5345	4.1408	2.5697	1.7702	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.743	C1	C2	H6	116.221
C2	C1	H7	111.234	C2	C1	H8	110.985
C2	C1	H9	110.985	C2	C3	H4	121.496
C2	C3	H5	121.703	C3	C2	H6	119.036
H4	C3	H5	116.801	H7	C1	H8	108.278
H7	C1	H9	108.278	H8	C1	H9	106.922

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/6-31G(2df,p)

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: CCSD(T)=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)