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	hartrees
Energy at 0K	-115.861423
Energy at 298.15K	-115.864813
HF Energy	-115.861423
Nuclear repulsion energy	64.526548

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	3468	3151	0.78	107.18	0.14	0.25
2	A₁	3183	2892	81.06	140.86	0.18	0.30
3	A₁	1860	1690	26.15	72.58	0.12	0.21
4	A₁	1645	1494	2.62	12.89	0.19	0.31
5	A₁	1236	1123	0.02	15.74	0.17	0.29
6	A₁	1009	917	3.44	6.04	0.50	0.67
7	A₂	1099	999	0.00	9.44	0.75	0.86
8	A₂	976	887	0.00	0.37	0.75	0.86
9	B₁	3243	2946	58.64	100.89	0.75	0.86
10	B₁	1199	1089	3.76	0.87	0.75	0.86
11	B₁	694	631	114.16	0.30	0.75	0.86
12	B₂	3418	3105	1.70	63.61	0.75	0.86
13	B₂	1186	1077	22.39	0.81	0.75	0.86
14	B₂	1160	1054	42.79	0.02	0.75	0.86
15	B₂	866	787	23.22	18.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
C2	0.000	0.636	-0.498
C3	0.000	-0.636	-0.498
H4	0.000	1.559	-1.031
H5	0.000	-1.559	-1.031
H6	0.904	0.000	1.450
H7	-0.904	0.000	1.450

	C1	C2	C3	H4	H5	H6	H7
C1		1.4951	1.4951	2.4476	2.4476	1.0814	1.0814
C2	1.4951		1.2713	1.0664	2.2586	2.2389	2.2389
C3	1.4951	1.2713		2.2586	1.0664	2.2389	2.2389
H4	2.4476	1.0664	2.2586		3.1179	3.0663	3.0663
H5	2.4476	2.2586	1.0664	3.1179		3.0663	3.0663
H6	1.0814	2.2389	2.2389	3.0663	3.0663		1.8072
H7	1.0814	2.2389	2.2389	3.0663	3.0663	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.839	C1	C2	H4	145.186
C1	C3	C2	64.839	C1	C3	H5	145.186
C2	C1	C3	50.321	C2	C1	H6	119.819
C2	C1	H7	119.819	C2	C3	H5	149.975
C3	C1	H6	119.819	C3	C1	H7	119.819
C3	C2	H4	149.975	H6	C1	H7	113.350

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/TZVP

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	-0.170
2	C	-0.140
3	C	-0.140
4	H	0.149
5	H	0.149
6	H	0.076
7	H	0.076

	x	y	z	Total
	0.000	0.000	-0.503	0.503
CHELPG
AIM
ESP

<r²>	36.521
(<r²>)^1/2	6.043

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)