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	hartrees
Energy at 0K	-117.558055
Energy at 298.15K
HF Energy	-117.080347
Nuclear repulsion energy	69.933068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3243	3175
2	A'	3156	3089
3	A'	3143	3077
4	A'	3129	3063
5	A'	3036	2971
6	A'	1699	1663
7	A'	1484	1453
8	A'	1443	1413
9	A'	1397	1368
10	A'	1307	1279
11	A'	1183	1158
12	A'	936	916
13	A'	930	911
14	A'	415	406
15	A"	3107	3041
16	A"	1470	1439
17	A"	1054	1032
18	A"	1001	979
19	A"	903	884
20	A"	572	560
21	A"	197	193

Atom	x (Å)	y (Å)	z (Å)
C1	-1.152	-0.495	0.000
C2	0.000	0.484	0.000
C3	1.306	0.132	0.000
H4	1.613	-0.924	0.000
H5	2.103	0.887	0.000
H6	-0.262	1.554	0.000
H7	-0.787	-1.539	0.000
H8	-1.795	-0.351	0.891
H9	-1.795	-0.351	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5119	2.5367	2.7977	3.5361	2.2342	1.1058	1.1077	1.1077
C2	1.5119		1.3526	2.1409	2.1411	1.1021	2.1705	2.1704	2.1704
C3	2.5367	1.3526		1.0997	1.0977	2.1174	2.6779	3.2618	3.2618
H4	2.7977	2.1409	1.0997		1.8761	3.1079	2.4770	3.5680	3.5680
H5	3.5361	2.1411	1.0977	1.8761		2.4577	3.7729	4.1851	4.1851
H6	2.2342	1.1021	2.1174	3.1079	2.4577		3.1374	2.6020	2.6020
H7	1.1058	2.1705	2.6779	2.4770	3.7729	3.1374		1.7946	1.7946
H8	1.1077	2.1704	3.2618	3.5680	4.1851	2.6020	1.7946		1.7815
H9	1.1077	2.1704	3.2618	3.5680	4.1851	2.6020	1.7946	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.550	C1	C2	H6	116.584
C2	C1	H7	111.078	C2	C1	H8	110.950
C2	C1	H9	110.950	C2	C3	H4	121.282
C2	C3	H5	121.462	C3	C2	H6	118.865
H4	C3	H5	117.256	H7	C1	H8	108.334
H7	C1	H9	108.334	H8	C1	H9	107.049

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)