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	hartrees
Energy at 0K	-115.784927
Energy at 298.15K	-115.788156
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	3370	0.25	114.09	0.12	0.21
2	A₁	3135	3135	35.38	99.82	0.15	0.26
3	A₁	1689	1689	11.41	22.07	0.27	0.42
4	A₁	1577	1577	0.84	16.28	0.30	0.46
5	A₁	1125	1125	1.19	6.15	0.15	0.27
6	A₁	936	936	2.74	11.78	0.55	0.71
7	A₂	1049	1049	0.00	19.22	0.75	0.86
8	A₂	893	893	0.00	0.08	0.75	0.86
9	B₁	3216	3216	38.83	70.45	0.75	0.86
10	B₁	1129	1129	2.51	4.00	0.75	0.86
11	B₁	650	650	97.55	1.36	0.75	0.86
12	B₂	3321	3321	0.15	61.77	0.75	0.86
13	B₂	1117	1117	7.90	0.09	0.75	0.86
14	B₂	1085	1085	67.23	1.06	0.75	0.86
15	B₂	723	723	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)