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	hartrees
Energy at 0K	-116.360505
Energy at 298.15K	-116.363696
HF Energy	-115.865815
Nuclear repulsion energy	63.813832

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	3332	3332	0.29	158.12	0.11	0.20
2	A₁	3105	3105	51.10	144.96	0.11	0.19
3	A₁	1682	1682	17.23	43.83	0.05	0.10
4	A₁	1530	1530	0.81	11.84	0.16	0.27
5	A₁	1163	1163	0.00	18.77	0.09	0.16
6	A₁	932	932	4.78	4.52	0.54	0.70
7	A₂	1025	1025	0.00	1.67	0.75	0.86
8	A₂	842	842	0.00	0.52	0.75	0.86
9	B₁	3186	3186	27.90	90.84	0.75	0.86
10	B₁	1110	1110	1.24	0.14	0.75	0.86
11	B₁	586	586	80.65	0.11	0.75	0.86
12	B₂	3287	3287	1.54	76.03	0.75	0.86
13	B₂	1066	1066	15.31	0.31	0.75	0.86
14	B₂	1028	1028	37.81	0.05	0.75	0.86
15	B₂	799	799	14.40	11.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.650	-0.500
C3	0.000	-0.650	-0.500
H4	0.000	1.580	-1.037
H5	0.000	-1.580	-1.037
H6	0.913	0.000	1.449
H7	-0.913	0.000	1.449

	C1	C2	C3	H4	H5	H6	H7
C1		1.5088	1.5088	2.4700	2.4700	1.0853	1.0853
C2	1.5088		1.2991	1.0741	2.2932	2.2477	2.2477
C3	1.5088	1.2991		2.2932	1.0741	2.2477	2.2477
H4	2.4700	1.0741	2.2932		3.1597	3.0833	3.0833
H5	2.4700	2.2932	1.0741	3.1597		3.0833	3.0833
H6	1.0853	2.2477	2.2477	3.0833	3.0833		1.8263
H7	1.0853	2.2477	2.2477	3.0833	3.0833	1.8263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.499	C1	C2	H4	145.494
C1	C3	C2	64.499	C1	C3	H5	145.494
C2	C1	C3	51.002	C2	C1	H6	119.197
C2	C1	H7	119.197	C2	C3	H5	150.007
C3	C1	H6	119.197	C3	C1	H7	119.197
C3	C2	H4	150.007	H6	C1	H7	114.569

All results from a given calculation for C₃H₄ (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)