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	hartrees
Energy at 0K	-20.159248
Energy at 298.15K	-20.164751
HF Energy	-19.873031
Nuclear repulsion energy	39.302648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3031	64.02
2	A'	3100	2956	18.76
3	A'	3079	2936	63.95
4	A'	3062	2920	20.85
5	A'	2973	2835	45.66
6	A'	1661	1584	5.84
7	A'	1502	1433	11.43
8	A'	1457	1389	2.71
9	A'	1432	1366	1.44
10	A'	1312	1251	0.10
11	A'	1190	1135	0.74
12	A'	944	901	3.98
13	A'	907	865	0.51
14	A'	410	391	0.49
15	A"	3043	2902	61.45
16	A"	1481	1413	9.26
17	A"	1074	1024	2.27
18	A"	976	931	33.53
19	A"	854	815	55.37
20	A"	566	539	14.91
21	A"	180	172	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.184	-0.498	0.000
C2	0.000	0.500	0.000
C3	1.340	0.122	0.000
H4	1.645	-0.942	0.000
H5	2.149	0.878	0.000
H6	-0.258	1.579	0.000
H7	-0.816	-1.551	0.000
H8	-1.829	-0.352	0.901
H9	-1.829	-0.352	-0.901

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5491	2.5996	2.8640	3.6064	2.2745	1.1153	1.1179	1.1179
C2	1.5491		1.3929	2.1879	2.1821	1.1091	2.2079	2.2100	2.2100
C3	2.5996	1.3929		1.1064	1.1074	2.1631	2.7293	3.3289	3.3289
H4	2.8640	2.1879	1.1064		1.8885	3.1588	2.5357	3.6373	3.6373
H5	3.6064	2.1821	1.1074	1.8885		2.5072	3.8334	4.2604	4.2604
H6	2.2745	1.1091	2.1631	3.1588	2.5072		3.1796	2.6476	2.6476
H7	1.1153	2.2079	2.7293	2.5357	3.8334	3.1796		1.8099	1.8099
H8	1.1179	2.2100	3.3289	3.6373	4.2604	2.6476	1.8099		1.8030
H9	1.1179	2.2100	3.3289	3.6373	4.2604	2.6476	1.8099	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.080	C1	C2	H6	116.691
C2	C1	H7	110.877	C2	C1	H8	110.890
C2	C1	H9	110.890	C2	C3	H4	121.770
C2	C3	H5	121.135	C3	C2	H6	119.229
H4	C3	H5	117.095	H7	C1	H8	108.281
H7	C1	H9	108.281	H8	C1	H9	107.498

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD/CEP-31G

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: QCISD/CEP-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)