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	hartrees
Energy at 0K	-116.575826
Energy at 298.15K	-116.579039
HF Energy	-116.575826
Nuclear repulsion energy	63.821499

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	3328	3184	0.11	136.25	0.13	0.23
2	A₁	3061	2928	72.68	129.57	0.15	0.26
3	A₁	1760	1684	11.29	34.28	0.20	0.33
4	A₁	1550	1483	4.63	16.47	0.31	0.48
5	A₁	1193	1141	1.13	8.53	0.19	0.32
6	A₁	935	894	3.93	8.70	0.66	0.80
7	A₂	1027	982	0.00	16.87	0.75	0.86
8	A₂	858	821	0.00	0.00	0.75	0.86
9	B₁	3122	2987	60.71	91.59	0.75	0.86
10	B₁	1128	1079	1.49	3.49	0.75	0.86
11	B₁	603	577	70.79	1.53	0.75	0.86
12	B₂	3282	3140	0.52	72.85	0.75	0.86
13	B₂	1087	1040	39.36	0.54	0.75	0.86
14	B₂	1041	996	22.92	0.03	0.75	0.86
15	B₂	816	780	14.18	18.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.858
C2	0.000	0.648	-0.499
C3	0.000	-0.648	-0.499
H4	0.000	1.583	-1.039
H5	0.000	-1.583	-1.039
H6	0.914	0.000	1.462
H7	-0.914	0.000	1.462

	C1	C2	C3	H4	H5	H6	H7
C1		1.5041	1.5041	2.4710	2.4710	1.0951	1.0951
C2	1.5041		1.2950	1.0800	2.2947	2.2585	2.2585
C3	1.5041	1.2950		2.2947	1.0800	2.2585	2.2585
H4	2.4710	1.0800	2.2947		3.1655	3.0979	3.0979
H5	2.4710	2.2947	1.0800	3.1655		3.0979	3.0979
H6	1.0951	2.2585	2.2585	3.0979	3.0979		1.8270
H7	1.0951	2.2585	2.2585	3.0979	3.0979	1.8270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.500	C1	C2	H4	145.503
C1	C3	C2	64.500	C1	C3	H5	145.503
C2	C1	C3	50.999	C2	C1	H6	119.851
C2	C1	H7	119.851	C2	C3	H5	149.997
C3	C1	H6	119.851	C3	C1	H7	119.851
C3	C2	H4	149.997	H6	C1	H7	113.065

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3PW91/6-31G*

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	-0.370
2	C	-0.141
3	C	-0.141
4	H	0.171
5	H	0.171
6	H	0.155
7	H	0.155

	x	y	z	Total
	0.000	0.000	-0.520	0.520
CHELPG
AIM
ESP

<r²>	36.680
(<r²>)^1/2	6.056

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)