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	hartrees
Energy at 0K	-116.492556
Energy at 298.15K
HF Energy	-116.352944
Nuclear repulsion energy	63.814364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3352	3352	0.00	137.00	0.13	0.23
2	A₁	3097	3097	64.38	122.97	0.14	0.25
3	A₁	1741	1741	13.62	28.95	0.20	0.34
4	A₁	1563	1563	4.55	16.62	0.30	0.46
5	A₁	1191	1191	0.71	8.52	0.17	0.29
6	A₁	950	950	2.78	9.94	0.65	0.79
7	A₂	1036	1036	0.00	16.11	0.75	0.86
8	A₂	854	854	0.00	0.01	0.75	0.86
9	B₁	3166	3166	56.10	84.33	0.75	0.86
10	B₁	1134	1134	1.81	3.42	0.75	0.86
11	B₁	598	598	64.53	1.69	0.75	0.86
12	B₂	3307	3307	0.01	71.64	0.75	0.86
13	B₂	1098	1098	28.79	0.57	0.75	0.86
14	B₂	1063	1063	29.70	0.28	0.75	0.86
15	B₂	806	806	9.99	17.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.649	-0.500
C3	0.000	-0.649	-0.500
H4	0.000	1.579	-1.039
H5	0.000	-1.579	-1.039
H6	0.910	0.000	1.459
H7	-0.910	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5069	1.5069	2.4701	2.4701	1.0896	1.0896
C2	1.5069		1.2974	1.0754	2.2923	2.2555	2.2555
C3	1.5069	1.2974		2.2923	1.0754	2.2555	2.2555
H4	2.4701	1.0754	2.2923		3.1585	3.0925	3.0925
H5	2.4701	2.2923	1.0754	3.1585		3.0925	3.0925
H6	1.0896	2.2555	2.2555	3.0925	3.0925		1.8206
H7	1.0896	2.2555	2.2555	3.0925	3.0925	1.8206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.501	C1	C2	H4	145.586
C1	C3	C2	64.501	C1	C3	H5	145.586
C2	C1	C3	50.997	C2	C1	H6	119.742
C2	C1	H7	119.742	C2	C3	H5	149.913
C3	C1	H6	119.742	C3	C1	H7	119.742
C3	C2	H4	149.913	H6	C1	H7	113.316

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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 C3H4 (cyclopropene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)