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	hartrees
Energy at 0K	-116.478950
Energy at 298.15K	-116.482176
HF Energy	-115.873254
Nuclear repulsion energy	64.146472

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	3363	3217	0.39	153.01	0.11	0.20
2	A₁	3121	2985	50.32	143.79	0.10	0.19
3	A₁	1703	1628	16.36	43.89	0.05	0.10
4	A₁	1537	1470	0.73	10.91	0.17	0.29
5	A₁	1170	1119	0.00	18.28	0.09	0.17
6	A₁	934	894	5.20	4.17	0.56	0.71
7	A₂	1032	987	0.00	1.70	0.75	0.86
8	A₂	865	827	0.00	0.53	0.75	0.86
9	B₁	3203	3063	26.95	89.30	0.75	0.86
10	B₁	1120	1071	1.28	0.14	0.75	0.86
11	B₁	603	577	80.05	0.11	0.75	0.86
12	B₂	3319	3174	1.90	72.95	0.75	0.86
13	B₂	1073	1026	14.41	0.33	0.75	0.86
14	B₂	1034	989	39.03	0.09	0.75	0.86
15	B₂	809	773	15.48	11.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.646	-0.497
C3	0.000	-0.646	-0.497
H4	0.000	1.574	-1.030
H5	0.000	-1.574	-1.030
H6	0.910	0.000	1.441
H7	-0.910	0.000	1.441

	C1	C2	C3	H4	H5	H6	H7
C1		1.4998	1.4998	2.4571	2.4571	1.0820	1.0820
C2	1.4998		1.2918	1.0701	2.2827	2.2368	2.2368
C3	1.4998	1.2918		2.2827	1.0701	2.2368	2.2368
H4	2.4571	1.0701	2.2827		3.1472	3.0684	3.0684
H5	2.4571	2.2827	1.0701	3.1472		3.0684	3.0684
H6	1.0820	2.2368	2.2368	3.0684	3.0684		1.8207
H7	1.0820	2.2368	2.2368	3.0684	3.0684	1.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.492	C1	C2	H4	145.409
C1	C3	C2	64.492	C1	C3	H5	145.409
C2	C1	C3	51.016	C2	C1	H6	119.193
C2	C1	H7	119.193	C2	C3	H5	150.099
C3	C1	H6	119.193	C3	C1	H7	119.193
C3	C2	H4	150.099	H6	C1	H7	114.575

All results from a given calculation for C₃H₄ (cyclopropene)

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

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-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)