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	hartrees
Energy at 0K	-116.540693
Energy at 298.15K	-116.543845
HF Energy	-116.540693
Nuclear repulsion energy	63.569510

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	3249	3185	1.80	152.05	0.14	0.24
2	A₁	2985	2927	87.17	135.82	0.15	0.26
3	A₁	1720	1687	11.58	32.49	0.20	0.33
4	A₁	1526	1496	6.19	18.02	0.31	0.47
5	A₁	1161	1139	2.01	8.11	0.18	0.31
6	A₁	913	895	2.95	9.68	0.66	0.79
7	A₂	1007	987	0.00	17.54	0.75	0.86
8	A₂	818	802	0.00	0.01	0.75	0.86
9	B₁	3041	2981	75.62	97.52	0.75	0.86
10	B₁	1111	1089	1.51	3.74	0.75	0.86
11	B₁	573	562	61.73	1.77	0.75	0.86
12	B₂	3204	3142	4.96	83.18	0.75	0.86
13	B₂	1059	1039	38.66	0.81	0.75	0.86
14	B₂	1010	990	20.41	0.05	0.75	0.86
15	B₂	799	784	11.96	18.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.651	-0.501
C3	0.000	-0.651	-0.501
H4	0.000	1.591	-1.042
H5	0.000	-1.591	-1.042
H6	0.917	0.000	1.467
H7	-0.917	0.000	1.467

	C1	C2	C3	H4	H5	H6	H7
C1		1.5084	1.5084	2.4797	2.4797	1.1001	1.1001
C2	1.5084		1.3021	1.0846	2.3062	2.2669	2.2669
C3	1.5084	1.3021		2.3062	1.0846	2.2669	2.2669
H4	2.4797	1.0846	2.3062		3.1812	3.1098	3.1098
H5	2.4797	2.3062	1.0846	3.1812		3.1098	3.1098
H6	1.1001	2.2669	2.2669	3.1098	3.1098		1.8343
H7	1.1001	2.2669	2.2669	3.1098	3.1098	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.430	C1	C2	H4	145.536
C1	C3	C2	64.430	C1	C3	H5	145.536
C2	C1	C3	51.140	C2	C1	H6	119.879
C2	C1	H7	119.879	C2	C3	H5	150.034
C3	C1	H6	119.879	C3	C1	H7	119.879
C3	C2	H4	150.034	H6	C1	H7	112.956

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B97D3/6-31G*

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	-0.329
2	C	-0.117
3	C	-0.117
4	H	0.145
5	H	0.145
6	H	0.136
7	H	0.136

	x	y	z	Total
	0.000	0.000	-0.512	0.512
CHELPG
AIM
ESP

<r²>	36.914
(<r²>)^1/2	6.076

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)