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	hartrees
Energy at 0K	-116.228478
Energy at 298.15K	-116.231733
HF Energy	-115.836384
Nuclear repulsion energy	63.543889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3395	3395	0.39
2	A₁	3139	3139	65.13
3	A₁	1770	1770	19.58
4	A₁	1558	1558	1.82
5	A₁	1200	1200	0.00
6	A₁	951	951	3.32
7	A₂	1041	1041	0.00
8	A₂	856	856	0.00
9	B₁	3214	3214	40.51
10	B₁	1126	1126	1.97
11	B₁	602	602	87.85
12	B₂	3347	3347	0.91
13	B₂	1107	1107	27.33
14	B₂	1069	1069	24.73
15	B₂	825	825	17.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.866
C2	0.000	0.651	-0.502
C3	0.000	-0.651	-0.502
H4	0.000	1.585	-1.045
H5	0.000	-1.585	-1.045
H6	0.917	0.000	1.462
H7	-0.917	0.000	1.462

	C1	C2	C3	H4	H5	H6	H7
C1		1.5151	1.5151	2.4821	2.4821	1.0933	1.0933
C2	1.5151		1.3013	1.0799	2.3001	2.2632	2.2632
C3	1.5151	1.3013		2.3001	1.0799	2.2632	2.2632
H4	2.4821	1.0799	2.3001		3.1692	3.1038	3.1038
H5	2.4821	2.3001	1.0799	3.1692		3.1038	3.1038
H6	1.0933	2.2632	2.2632	3.1038	3.1038		1.8332
H7	1.0933	2.2632	2.2632	3.1038	3.1038	1.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.568	C1	C2	H4	145.568
C1	C3	C2	64.568	C1	C3	H5	145.568
C2	C1	C3	50.863	C2	C1	H6	119.493
C2	C1	H7	119.493	C2	C3	H5	149.864
C3	C1	H6	119.493	C3	C1	H7	119.493
C3	C2	H4	149.864	H6	C1	H7	113.932

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CID/daug-cc-pVDZ

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 C3H4 (cyclopropene)

using model chemistry: CID/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)