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	hartrees
Energy at 0K	-116.609257
Energy at 298.15K	-116.612380
HF Energy	-116.609257
Nuclear repulsion energy	63.505408

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	3211	3211	0.13	162.80	0.13	0.23
2	A₁	2966	2966	75.95	156.48	0.14	0.25
3	A₁	1676	1676	16.38	46.30	0.12	0.21
4	A₁	1486	1486	2.48	15.05	0.22	0.36
5	A₁	1105	1105	0.56	14.10	0.13	0.23
6	A₁	892	892	3.63	5.59	0.55	0.71
7	A₂	987	987	0.00	6.83	0.75	0.86
8	A₂	828	828	0.00	0.02	0.75	0.86
9	B₁	3026	3026	47.10	106.08	0.75	0.86
10	B₁	1084	1084	1.51	1.03	0.75	0.86
11	B₁	573	573	76.81	0.65	0.75	0.86
12	B₂	3169	3169	0.25	89.72	0.75	0.86
13	B₂	1033	1033	22.33	0.54	0.75	0.86
14	B₂	993	993	38.11	0.25	0.75	0.86
15	B₂	741	741	11.83	14.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.869
C2	0.000	0.649	-0.504
C3	0.000	-0.649	-0.504
H4	0.000	1.582	-1.050
H5	0.000	-1.582	-1.050
H6	0.917	0.000	1.467
H7	-0.917	0.000	1.467

	C1	C2	C3	H4	H5	H6	H7
C1		1.5186	1.5186	2.4867	2.4867	1.0946	1.0946
C2	1.5186		1.2970	1.0811	2.2962	2.2686	2.2686
C3	1.5186	1.2970		2.2962	1.0811	2.2686	2.2686
H4	2.4867	1.0811	2.2962		3.1639	3.1107	3.1107
H5	2.4867	2.2962	1.0811	3.1639		3.1107	3.1107
H6	1.0946	2.2686	2.2686	3.1107	3.1107		1.8338
H7	1.0946	2.2686	2.2686	3.1107	3.1107	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.719	C1	C2	H4	145.583
C1	C3	C2	64.719	C1	C3	H5	145.583
C2	C1	C3	50.561	C2	C1	H6	119.597
C2	C1	H7	119.597	C2	C3	H5	149.698
C3	C1	H6	119.597	C3	C1	H7	119.597
C3	C2	H4	149.698	H6	C1	H7	113.786

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: BLYP/Def2TZVPP

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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Number	Element	Mulliken
1	C	-0.192
2	C	-0.155
3	C	-0.155
4	H	0.172
5	H	0.172
6	H	0.079
7	H	0.079

	x	y	z	Total
	0.000	0.000	-0.472	0.472
CHELPG
AIM
ESP

<r²>	37.454
(<r²>)^1/2	6.120

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)