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	hartrees
Energy at 0K	-116.741118
Energy at 298.15K	-116.746712
HF Energy	-116.421220
Nuclear repulsion energy	69.912729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3179	3150
2	A'	3108	3079
3	A'	3097	3068
4	A'	3072	3043
5	A'	3003	2975
6	A'	1673	1658
7	A'	1571	1556
8	A'	1501	1487
9	A'	1468	1454
10	A'	1358	1345
11	A'	1212	1201
12	A'	992	983
13	A'	887	878
14	A'	435	431
15	A"	3056	3028
16	A"	1558	1544
17	A"	1110	1100
18	A"	1012	1002
19	A"	928	920
20	A"	579	573
21	A"	181	180

Atom	x (Å)	y (Å)	z (Å)
C1	-1.153	-0.514	0.000
C2	0.000	0.490	0.000
C3	1.304	0.149	0.000
H4	1.624	-0.896	0.000
H5	2.098	0.898	0.000
H6	-0.285	1.547	0.000
H7	-0.765	-1.544	0.000
H8	-1.788	-0.379	0.891
H9	-1.788	-0.379	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5292	2.5455	2.8035	3.5446	2.2358	1.1007	1.1019	1.1019
C2	1.5292		1.3479	2.1348	2.1372	1.0944	2.1730	2.1784	2.1784
C3	2.5455	1.3479		1.0927	1.0909	2.1164	2.6736	3.2609	3.2609
H4	2.8035	2.1348	1.0927		1.8546	3.1000	2.4755	3.5639	3.5639
H5	3.5446	2.1372	1.0909	1.8546		2.4702	3.7626	4.1861	4.1861
H6	2.2358	1.0944	2.1164	3.1000	2.4702		3.1273	2.5998	2.5998
H7	1.1007	2.1730	2.6736	2.4755	3.7626	3.1273		1.7878	1.7878
H8	1.1019	2.1784	3.2609	3.5639	4.1861	2.5998	1.7878		1.7814
H9	1.1019	2.1784	3.2609	3.5639	4.1861	2.5998	1.7878	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.318	C1	C2	H6	115.919
C2	C1	H7	110.376	C2	C1	H8	110.731
C2	C1	H9	110.731	C2	C3	H4	121.668
C2	C3	H5	122.053	C3	C2	H6	119.762
H4	C3	H5	116.280	H7	C1	H8	108.523
H7	C1	H9	108.523	H8	C1	H9	107.873

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)/3-21G

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)/3-21G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)