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	hartrees
Energy at 0K	-117.542742
Energy at 298.15K	-117.548445
HF Energy	-117.087793
Nuclear repulsion energy	71.052123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3342	14.00
2	A'	3264	3264	8.72
3	A'	3250	3250	16.07
4	A'	3228	3228	8.97
5	A'	3138	3138	19.59
6	A'	1797	1797	8.60
7	A'	1559	1559	10.45
8	A'	1512	1512	1.04
9	A'	1469	1469	0.96
10	A'	1377	1377	0.34
11	A'	1237	1237	0.23
12	A'	977	977	3.68
13	A'	962	962	1.36
14	A'	433	433	0.95
15	A"	3202	3202	18.76
16	A"	1546	1546	5.44
17	A"	1121	1121	2.85
18	A"	1079	1079	7.97
19	A"	1004	1004	36.99
20	A"	615	615	9.01
21	A"	210	210	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.131	-0.507	0.000
C2	0.000	0.475	0.000
C3	1.283	0.153	0.000
H4	1.608	-0.877	0.000
H5	2.056	0.904	0.000
H6	-0.279	1.521	0.000
H7	-0.765	-1.530	0.000
H8	-1.765	-0.371	0.875
H9	-1.765	-0.371	-0.875

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4982	2.5028	2.7641	3.4857	2.1995	1.0868	1.0890	1.0890
C2	1.4982		1.3229	2.1009	2.1003	1.0821	2.1465	2.1440	2.1440
C3	2.5028	1.3229		1.0797	1.0781	2.0764	2.6510	3.2140	3.2140
H4	2.7641	2.1009	1.0797		1.8366	3.0512	2.4615	3.5212	3.5212
H5	3.4857	2.1003	1.0781	1.8366		2.4151	3.7264	4.1221	4.1221
H6	2.1995	1.0821	2.0764	3.0512	2.4151		3.0895	2.5596	2.5596
H7	1.0868	2.1465	2.6510	2.4615	3.7264	3.0895		1.7635	1.7635
H8	1.0890	2.1440	3.2140	3.5212	4.1221	2.5596	1.7635		1.7501
H9	1.0890	2.1440	3.2140	3.5212	4.1221	2.5596	1.7635	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.922	C1	C2	H6	116.022
C2	C1	H7	111.286	C2	C1	H8	110.939
C2	C1	H9	110.939	C2	C3	H4	121.626
C2	C3	H5	121.701	C3	C2	H6	119.055
H4	C3	H5	116.673	H7	C1	H8	108.290
H7	C1	H9	108.290	H8	C1	H9	106.939

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CISD/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: CISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)