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	hartrees
Energy at 0K	-115.968343
Energy at 298.15K	-115.971571
HF Energy	-115.968343
Nuclear repulsion energy	63.343068

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	3347	3220	0.23	113.19	0.12	0.21
2	A₁	3095	2978	41.18	103.57	0.15	0.26
3	A₁	1714	1648	9.32	27.69	0.23	0.37
4	A₁	1562	1502	1.45	15.61	0.35	0.52
5	A₁	1119	1077	1.53	6.71	0.17	0.29
6	A₁	928	893	3.29	10.77	0.58	0.73
7	A₂	1037	998	0.00	19.38	0.75	0.86
8	A₂	903	869	0.00	0.05	0.75	0.86
9	B₁	3171	3051	43.34	74.18	0.75	0.86
10	B₁	1118	1076	2.60	4.00	0.75	0.86
11	B₁	656	631	96.01	1.35	0.75	0.86
12	B₂	3296	3171	0.19	61.75	0.75	0.86
13	B₂	1099	1057	15.70	0.19	0.75	0.86
14	B₂	1061	1021	60.78	0.94	0.75	0.86
15	B₂	734	706	8.58	17.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.880
C2	0.000	0.650	-0.509
C3	0.000	-0.650	-0.509
H4	0.000	1.574	-1.051
H5	0.000	-1.574	-1.051
H6	0.917	0.000	1.464
H7	-0.917	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5326	1.5326	2.4908	2.4908	1.0878	1.0878
C2	1.5326		1.2991	1.0717	2.2886	2.2705	2.2705
C3	1.5326	1.2991		2.2886	1.0717	2.2705	2.2705
H4	2.4908	1.0717	2.2886		3.1476	3.1056	3.1056
H5	2.4908	2.2886	1.0717	3.1476		3.1056	3.1056
H6	1.0878	2.2705	2.2705	3.1056	3.1056		1.8349
H7	1.0878	2.2705	2.2705	3.1056	3.1056	1.8349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.923	C1	C2	H4	145.488
C1	C3	C2	64.923	C1	C3	H5	145.488
C2	C1	C3	50.154	C2	C1	H6	119.124
C2	C1	H7	119.124	C2	C3	H5	149.589
C3	C1	H6	119.124	C3	C1	H7	119.124
C3	C2	H4	149.589	H6	C1	H7	114.994

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/3-21G*

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	-0.358
2	C	-0.191
3	C	-0.191
4	H	0.182
5	H	0.182
6	H	0.188
7	H	0.188

	x	y	z	Total
	0.000	0.000	-0.491	0.491
CHELPG
AIM
ESP

<r²>	37.269
(<r²>)^1/2	6.105

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)