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	hartrees
Energy at 0K	-115.784927
Energy at 298.15K	-115.788162
HF Energy	-115.691241
Nuclear repulsion energy	63.231658

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	3370	3209	0.25	114.09	0.12	0.21
2	A₁	3135	2984	35.38	99.82	0.15	0.26
3	A₁	1689	1608	11.41	22.07	0.27	0.42
4	A₁	1577	1501	0.84	16.28	0.30	0.46
5	A₁	1125	1071	1.19	6.15	0.15	0.27
6	A₁	936	891	2.74	11.78	0.55	0.71
7	A₂	1049	999	0.00	19.22	0.75	0.86
8	A₂	893	851	0.00	0.08	0.75	0.86
9	B₁	3216	3061	38.83	70.45	0.75	0.86
10	B₁	1129	1075	2.51	4.00	0.75	0.86
11	B₁	650	618	97.55	1.36	0.75	0.86
12	B₂	3321	3161	0.15	61.77	0.75	0.86
13	B₂	1117	1063	7.90	0.09	0.75	0.86
14	B₂	1085	1033	67.23	1.06	0.75	0.86
15	B₂	723	689	7.84	16.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.883
C2	0.000	0.652	-0.510
C3	0.000	-0.652	-0.510
H4	0.000	1.573	-1.054
H5	0.000	-1.573	-1.054
H6	0.916	0.000	1.464
H7	-0.916	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5375	1.5375	2.4953	2.4953	1.0848	1.0848
C2	1.5375		1.3035	1.0700	2.2902	2.2712	2.2712
C3	1.5375	1.3035		2.2902	1.0700	2.2712	2.2712
H4	2.4953	1.0700	2.2902		3.1456	3.1070	3.1070
H5	2.4953	2.2902	1.0700	3.1456		3.1070	3.1070
H6	1.0848	2.2712	2.2712	3.1070	3.1070		1.8325
H7	1.0848	2.2712	2.2712	3.1070	3.1070	1.8325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.919	C1	C2	H4	145.677
C1	C3	C2	64.919	C1	C3	H5	145.677
C2	C1	C3	50.161	C2	C1	H6	119.005
C2	C1	H7	119.005	C2	C3	H5	149.404
C3	C1	H6	119.005	C3	C1	H7	119.005
C3	C2	H4	149.404	H6	C1	H7	115.264

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)