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	hartrees
Energy at 0K	-117.594443
Energy at 298.15K
HF Energy	-117.116887
Nuclear repulsion energy	71.203348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3089	15.53
2	A'	3246	3018	9.29
3	A'	3231	3005	16.66
4	A'	3204	2979	12.30
5	A'	3119	2900	22.38
6	A'	1788	1662	11.89
7	A'	1552	1443	13.40
8	A'	1510	1404	0.94
9	A'	1463	1360	1.33
10	A'	1374	1277	0.12
11	A'	1237	1150	0.21
12	A'	978	909	3.13
13	A'	962	895	2.03
14	A'	435	405	0.96
15	A"	3178	2955	20.15
16	A"	1539	1431	6.33
17	A"	1120	1041	4.06
18	A"	1070	995	10.40
19	A"	999	929	46.60
20	A"	615	572	11.38
21	A"	209	194	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.130	-0.503	0.000
C2	0.000	0.475	0.000
C3	1.281	0.148	0.000
H4	1.597	-0.882	0.000
H5	2.052	0.898	0.000
H6	-0.270	1.520	0.000
H7	-0.764	-1.523	0.000
H8	-1.761	-0.367	0.873
H9	-1.761	-0.367	-0.873

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4947	2.4976	2.7527	3.4765	2.1986	1.0837	1.0859	1.0859
C2	1.4947		1.3223	2.0953	2.0947	1.0790	2.1391	2.1384	2.1384
C3	2.4976	1.3223		1.0771	1.0752	2.0705	2.6408	3.2068	3.2068
H4	2.7527	2.0953	1.0771		1.8371	3.0415	2.4457	3.5074	3.5074
H5	3.4765	2.0947	1.0752	1.8371		2.4030	3.7131	4.1109	4.1109
H6	2.1986	1.0790	2.0705	3.0415	2.4030		3.0829	2.5588	2.5588
H7	1.0837	2.1391	2.6408	2.4457	3.7131	3.0829		1.7591	1.7591
H8	1.0859	2.1384	3.2068	3.5074	4.1109	2.5588	1.7591		1.7461
H9	1.0859	2.1384	3.2068	3.5074	4.1109	2.5588	1.7591	1.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.791	C1	C2	H6	116.423
C2	C1	H7	111.124	C2	C1	H8	110.929
C2	C1	H9	110.929	C2	C3	H4	121.349
C2	C3	H5	121.446	C3	C2	H6	118.786
H4	C3	H5	117.206	H7	C1	H8	108.346
H7	C1	H9	108.346	H8	C1	H9	107.021

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)