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	hartrees
Energy at 0K	-116.381867
Energy at 298.15K	-116.377628
HF Energy	-115.821201
Nuclear repulsion energy	64.285419

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	3493	3493	0.06	113.20	0.13	0.23
2	A₁	3203	3203	88.22	126.94	0.17	0.28
3	A₁	1881	1881	18.96	49.49	0.20	0.33
4	A₁	1656	1656	5.69	15.02	0.27	0.43
5	A₁	1260	1260	0.04	11.08	0.19	0.32
6	A₁	1013	1013	2.05	9.34	0.64	0.78
7	A₂	1101	1101	0.00	16.12	0.75	0.86
8	A₂	974	974	0.00	0.08	0.75	0.86
9	B₁	3261	3261	74.83	93.00	0.75	0.86
10	B₁	1203	1203	3.82	2.61	0.75	0.86
11	B₁	692	692	78.85	1.00	0.75	0.86
12	B₂	3441	3441	0.01	64.69	0.75	0.86
13	B₂	1184	1184	41.12	0.11	0.75	0.86
14	B₂	1155	1155	22.87	0.03	0.75	0.86
15	B₂	880	880	16.48	19.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
C2	0.000	0.640	-0.499
C3	0.000	-0.640	-0.499
H4	0.000	1.567	-1.033
H5	0.000	-1.567	-1.033
H6	0.905	0.000	1.456
H7	-0.905	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.4982	1.4982	2.4546	2.4546	1.0858	1.0858
C2	1.4982		1.2794	1.0705	2.2708	2.2470	2.2470
C3	1.4982	1.2794		2.2708	1.0705	2.2470	2.2470
H4	2.4546	1.0705	2.2708		3.1348	3.0773	3.0773
H5	2.4546	2.2708	1.0705	3.1348		3.0773	3.0773
H6	1.0858	2.2470	2.2470	3.0773	3.0773		1.8103
H7	1.0858	2.2470	2.2470	3.0773	3.0773	1.8103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.725	C1	C2	H4	145.209
C1	C3	C2	64.725	C1	C3	H5	145.209
C2	C1	C3	50.550	C2	C1	H6	119.965
C2	C1	H7	119.965	C2	C3	H5	150.067
C3	C1	H6	119.965	C3	C1	H7	119.965
C3	C2	H4	150.067	H6	C1	H7	112.943

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)