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	hartrees
Energy at 0K	-116.674336
Energy at 298.15K	-116.677550
HF Energy	-116.674336
Nuclear repulsion energy	64.029167

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	3292	3189	0.03	149.58	0.13	0.23
2	A₁	3037	2942	73.51	152.88	0.13	0.24
3	A₁	1732	1678	16.82	50.87	0.11	0.20
4	A₁	1525	1478	2.00	13.96	0.20	0.34
5	A₁	1149	1113	0.30	14.59	0.12	0.22
6	A₁	925	896	4.01	4.95	0.60	0.75
7	A₂	1018	986	0.00	4.61	0.75	0.86
8	A₂	873	846	0.00	0.30	0.75	0.86
9	B₁	3098	3001	43.96	106.39	0.75	0.86
10	B₁	1115	1080	1.74	0.56	0.75	0.86
11	B₁	602	583	78.77	0.37	0.75	0.86
12	B₂	3247	3145	0.07	80.17	0.75	0.86
13	B₂	1075	1041	19.66	0.00	0.75	0.86
14	B₂	1039	1007	41.08	0.01	0.75	0.86
15	B₂	784	760	14.55	14.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.861
C2	0.000	0.643	-0.500
C3	0.000	-0.643	-0.500
H4	0.000	1.571	-1.041
H5	0.000	-1.571	-1.041
H6	0.910	0.000	1.456
H7	-0.910	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.5053	1.5053	2.4664	2.4664	1.0874	1.0874
C2	1.5053		1.2858	1.0737	2.2785	2.2513	2.2513
C3	1.5053	1.2858		2.2785	1.0737	2.2513	2.2513
H4	2.4664	1.0737	2.2785		3.1411	3.0869	3.0869
H5	2.4664	2.2785	1.0737	3.1411		3.0869	3.0869
H6	1.0874	2.2513	2.2513	3.0869	3.0869		1.8204
H7	1.0874	2.2513	2.2513	3.0869	3.0869	1.8204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.717	C1	C2	H4	145.516
C1	C3	C2	64.717	C1	C3	H5	145.516
C2	C1	C3	50.566	C2	C1	H6	119.653
C2	C1	H7	119.653	C2	C3	H5	149.767
C3	C1	H6	119.653	C3	C1	H7	119.653
C3	C2	H4	149.767	H6	C1	H7	113.655

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.112
2	C	-0.146
3	C	-0.146
4	H	0.130
5	H	0.130
6	H	0.071
7	H	0.071

	x	y	z	Total
	0.000	0.000	-0.484	0.484
CHELPG
AIM
ESP

<r²>	36.911
(<r²>)^1/2	6.075

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)