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	hartrees
Energy at 0K	-117.591899
Energy at 298.15K	-117.597606
HF Energy	-117.115269
Nuclear repulsion energy	71.212394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3322	13.42
2	A'	3242	3242	8.92
3	A'	3228	3228	15.97
4	A'	3205	3205	10.22
5	A'	3118	3118	20.96
6	A'	1787	1787	13.53
7	A'	1553	1553	14.31
8	A'	1510	1510	0.99
9	A'	1466	1466	1.32
10	A'	1375	1375	0.09
11	A'	1238	1238	0.19
12	A'	980	980	3.21
13	A'	963	963	2.09
14	A'	437	437	0.98
15	A"	3179	3179	16.72
16	A"	1540	1540	6.61
17	A"	1120	1120	4.22
18	A"	1070	1070	10.21
19	A"	1001	1001	47.98
20	A"	614	614	11.87
21	A"	212	212	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.130	-0.505	0.000
C2	0.000	0.474	0.000
C3	1.281	0.150	0.000
H4	1.599	-0.879	0.000
H5	2.051	0.901	0.000
H6	-0.272	1.519	0.000
H7	-0.765	-1.525	0.000
H8	-1.760	-0.367	0.873
H9	-1.760	-0.367	-0.873

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4949	2.4977	2.7544	3.4771	2.1978	1.0834	1.0856	1.0856
C2	1.4949		1.3213	2.0952	2.0946	1.0795	2.1403	2.1372	2.1372
C3	2.4977	1.3213		1.0772	1.0754	2.0704	2.6433	3.2055	3.2055
H4	2.7544	2.0952	1.0772		1.8362	3.0420	2.4503	3.5083	3.5083
H5	3.4771	2.0946	1.0754	1.8362		2.4039	3.7159	4.1098	4.1098
H6	2.1978	1.0795	2.0704	3.0420	2.4039		3.0833	2.5558	2.5558
H7	1.0834	2.1403	2.6433	2.4503	3.7159	3.0833		1.7589	1.7589
H8	1.0856	2.1372	3.2055	3.5083	4.1098	2.5558	1.7589		1.7463
H9	1.0856	2.1372	3.2055	3.5083	4.1098	2.5558	1.7589	1.7463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.864	C1	C2	H6	116.308
C2	C1	H7	111.220	C2	C1	H8	110.832
C2	C1	H9	110.832	C2	C3	H4	121.414
C2	C3	H5	121.502	C3	C2	H6	118.828
H4	C3	H5	117.083	H7	C1	H8	108.366
H7	C1	H9	108.366	H8	C1	H9	107.082

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/6-311+G(3df,2pd)

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/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)