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	hartrees
Energy at 0K	-117.594708
Energy at 298.15K
HF Energy	-117.120350
Nuclear repulsion energy	71.226967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3330	14.28
2	A'	3252	3252	9.38
3	A'	3238	3238	15.38
4	A'	3211	3211	11.26
5	A'	3126	3126	21.59
6	A'	1791	1791	12.40
7	A'	1553	1553	14.09
8	A'	1513	1513	0.80
9	A'	1466	1466	1.42
10	A'	1377	1377	0.09
11	A'	1238	1238	0.21
12	A'	979	979	2.82
13	A'	963	963	2.35
14	A'	436	436	0.97
15	A"	3185	3185	17.98
16	A"	1539	1539	6.61
17	A"	1120	1120	4.67
18	A"	1070	1070	11.13
19	A"	1000	1000	47.63
20	A"	616	616	11.93
21	A"	209	209	0.37

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	1.596	-0.881	0.000
H5	2.051	0.898	0.000
H6	-0.270	1.520	0.000
H7	-0.763	-1.523	0.000
H8	-1.760	-0.366	0.873
H9	-1.760	-0.366	-0.873

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4944	2.4968	2.7518	3.4755	2.1981	1.0833	1.0855	1.0855
C2	1.4944		1.3217	2.0946	2.0941	1.0788	2.1386	2.1373	2.1373
C3	2.4968	1.3217		1.0767	1.0749	2.0698	2.6400	3.2053	3.2053
H4	2.7518	2.0946	1.0767		1.8364	3.0406	2.4451	3.5061	3.5061
H5	3.4755	2.0941	1.0749	1.8364		2.4024	3.7121	4.1092	4.1092
H6	2.1981	1.0788	2.0698	3.0406	2.4024		3.0821	2.5574	2.5574
H7	1.0833	2.1386	2.6400	2.4451	3.7121	3.0821		1.7588	1.7588
H8	1.0855	2.1373	3.2053	3.5061	4.1092	2.5574	1.7588		1.7457
H9	1.0855	2.1373	3.2053	3.5061	4.1092	2.5574	1.7588	1.7457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.787	C1	C2	H6	116.417
C2	C1	H7	111.128	C2	C1	H8	110.888
C2	C1	H9	110.888	C2	C3	H4	121.357
C2	C3	H5	121.453	C3	C2	H6	118.795
H4	C3	H5	117.190	H7	C1	H8	108.377
H7	C1	H9	108.377	H8	C1	H9	107.041

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)