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	hartrees
Energy at 0K	-116.416144
Energy at 298.15K	-116.419361
HF Energy	-115.866334
Nuclear repulsion energy	64.043195

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	3327	3327	0.51	158.41	0.10	0.19
2	A₁	3119	3119	50.57	140.00	0.11	0.20
3	A₁	1700	1700	16.68	43.88	0.05	0.09
4	A₁	1538	1538	0.81	10.94	0.17	0.29
5	A₁	1174	1174	0.00	18.06	0.09	0.17
6	A₁	938	938	5.11	4.30	0.56	0.71
7	A₂	1033	1033	0.00	1.65	0.75	0.86
8	A₂	866	866	0.00	0.54	0.75	0.86
9	B₁	3179	3179	27.18	89.45	0.75	0.86
10	B₁	1116	1116	1.33	0.12	0.75	0.86
11	B₁	603	603	80.46	0.10	0.75	0.86
12	B₂	3278	3278	1.78	73.96	0.75	0.86
13	B₂	1067	1067	9.63	0.29	0.75	0.86
14	B₂	1031	1031	44.11	0.09	0.75	0.86
15	B₂	804	804	14.64	11.51	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	1.575	-1.032
H5	0.000	-1.575	-1.032
H6	0.911	0.000	1.443
H7	-0.911	0.000	1.443

	C1	C2	C3	H4	H5	H6	H7
C1		1.5032	1.5032	2.4611	2.4611	1.0818	1.0818
C2	1.5032		1.2944	1.0706	2.2854	2.2392	2.2392
C3	1.5032	1.2944		2.2854	1.0706	2.2392	2.2392
H4	2.4611	1.0706	2.2854		3.1496	3.0717	3.0717
H5	2.4611	2.2854	1.0706	3.1496		3.0717	3.0717
H6	1.0818	2.2392	2.2392	3.0717	3.0717		1.8216
H7	1.0818	2.2392	2.2392	3.0717	3.0717	1.8216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.498	C1	C2	H4	145.457
C1	C3	C2	64.498	C1	C3	H5	145.457
C2	C1	C3	51.005	C2	C1	H6	119.145
C2	C1	H7	119.145	C2	C3	H5	150.046
C3	C1	H6	119.145	C3	C1	H7	119.145
C3	C2	H4	150.046	H6	C1	H7	114.688

All results from a given calculation for C₃H₄ (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)