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	hartrees
Energy at 0K	-116.413758
Energy at 298.15K	-116.416991
HF Energy	-115.866227
Nuclear repulsion energy	64.053758

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	3339	3177	0.46	156.72	0.11	0.19
2	A₁	3124	2972	50.53	139.74	0.11	0.20
3	A₁	1700	1618	16.87	43.27	0.05	0.10
4	A₁	1541	1466	0.71	11.46	0.16	0.27
5	A₁	1175	1118	0.00	18.09	0.09	0.17
6	A₁	942	896	5.06	4.28	0.54	0.70
7	A₂	1037	986	0.00	1.65	0.75	0.86
8	A₂	863	821	0.00	0.56	0.75	0.86
9	B₁	3184	3030	27.48	89.71	0.75	0.86
10	B₁	1120	1065	1.29	0.14	0.75	0.86
11	B₁	604	575	80.55	0.09	0.75	0.86
12	B₂	3281	3121	1.79	73.83	0.75	0.86
13	B₂	1077	1025	12.20	0.28	0.75	0.86
14	B₂	1034	983	42.40	0.06	0.75	0.86
15	B₂	806	767	13.86	11.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.859
C2	0.000	0.647	-0.498
C3	0.000	-0.647	-0.498
H4	0.000	1.574	-1.032
H5	0.000	-1.574	-1.032
H6	0.910	0.000	1.443
H7	-0.910	0.000	1.443

	C1	C2	C3	H4	H5	H6	H7
C1		1.5031	1.5031	2.4605	2.4605	1.0817	1.0817
C2	1.5031		1.2941	1.0699	2.2843	2.2395	2.2395
C3	1.5031	1.2941		2.2843	1.0699	2.2395	2.2395
H4	2.4605	1.0699	2.2843		3.1476	3.0715	3.0715
H5	2.4605	2.2843	1.0699	3.1476		3.0715	3.0715
H6	1.0817	2.2395	2.2395	3.0715	3.0715		1.8207
H7	1.0817	2.2395	2.2395	3.0715	3.0715	1.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.502	C1	C2	H4	145.475
C1	C3	C2	64.502	C1	C3	H5	145.475
C2	C1	C3	50.996	C2	C1	H6	119.180
C2	C1	H7	119.180	C2	C3	H5	150.023
C3	C1	H6	119.180	C3	C1	H7	119.180
C3	C2	H4	150.023	H6	C1	H7	114.609

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)