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	hartrees
Energy at 0K	-116.502662
Energy at 298.15K	-116.505901
HF Energy	-116.502662
Nuclear repulsion energy	63.980985

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	3321	3187	0.10	136.91	0.14	0.25
2	A₁	3055	2931	72.03	143.62	0.16	0.27
3	A₁	1752	1681	12.54	42.56	0.17	0.29
4	A₁	1519	1458	2.11	13.63	0.26	0.42
5	A₁	1186	1138	0.63	10.69	0.19	0.32
6	A₁	928	890	5.97	5.18	0.62	0.76
7	A₂	1023	981	0.00	9.16	0.75	0.86
8	A₂	878	842	0.00	0.11	0.75	0.86
9	B₁	3122	2995	52.84	101.50	0.75	0.86
10	B₁	1112	1067	1.67	1.99	0.75	0.86
11	B₁	617	592	84.00	0.77	0.75	0.86
12	B₂	3273	3140	0.30	73.81	0.75	0.86
13	B₂	1077	1033	35.68	0.18	0.75	0.86
14	B₂	1038	996	27.18	0.02	0.75	0.86
15	B₂	818	785	19.85	16.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.858
C2	0.000	0.645	-0.499
C3	0.000	-0.645	-0.499
H4	0.000	1.578	-1.038
H5	0.000	-1.578	-1.038
H6	0.914	0.000	1.456
H7	-0.914	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.5019	1.5019	2.4661	2.4661	1.0919	1.0919
C2	1.5019		1.2901	1.0771	2.2870	2.2515	2.2515
C3	1.5019	1.2901		2.2870	1.0771	2.2515	2.2515
H4	2.4661	1.0771	2.2870		3.1551	3.0887	3.0887
H5	2.4661	2.2870	1.0771	3.1551		3.0887	3.0887
H6	1.0919	2.2515	2.2515	3.0887	3.0887		1.8275
H7	1.0919	2.2515	2.2515	3.0887	3.0887	1.8275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.565	C1	C2	H4	145.470
C1	C3	C2	64.565	C1	C3	H5	145.470
C2	C1	C3	50.869	C2	C1	H6	119.629
C2	C1	H7	119.629	C2	C3	H5	149.965
C3	C1	H6	119.629	C3	C1	H7	119.629
C3	C2	H4	149.965	H6	C1	H7	113.617

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: PBE1PBE/6-311G**

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	-0.227
2	C	-0.120
3	C	-0.120
4	H	0.109
5	H	0.109
6	H	0.124
7	H	0.124

	x	y	z	Total
	0.000	0.000	-0.501	0.501
CHELPG
AIM
ESP

<r²>	36.754
(<r²>)^1/2	6.063

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)