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	hartrees
Energy at 0K	-116.494049
Energy at 298.15K	-116.497245
HF Energy	-116.357649
Nuclear repulsion energy	63.696835

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	3187	0.01	147.41	0.15	0.26
2	A₁	3096	2949	64.42	119.42	0.18	0.30
3	A₁	1724	1641	19.91	52.52	0.11	0.20
4	A₁	1551	1477	2.97	13.32	0.26	0.41
5	A₁	1170	1114	0.11	18.95	0.15	0.27
6	A₁	939	894	5.21	5.73	0.49	0.66
7	A₂	1026	977	0.00	4.88	0.75	0.86
8	A₂	839	799	0.00	0.54	0.75	0.86
9	B₁	3166	3016	44.55	104.50	0.75	0.86
10	B₁	1126	1073	1.08	0.60	0.75	0.86
11	B₁	580	553	98.58	0.10	0.75	0.86
12	B₂	3303	3146	0.18	83.50	0.75	0.86
13	B₂	1090	1038	30.09	0.06	0.75	0.86
14	B₂	1048	998	35.76	0.04	0.75	0.86
15	B₂	792	754	16.30	16.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
C2	0.000	0.650	-0.501
C3	0.000	-0.650	-0.501
H4	0.000	1.581	-1.041
H5	0.000	-1.581	-1.041
H6	0.912	0.000	1.459
H7	-0.912	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5112	1.5112	2.4750	2.4750	1.0896	1.0896
C2	1.5112		1.2998	1.0761	2.2950	2.2576	2.2576
C3	1.5112	1.2998		2.2950	1.0761	2.2576	2.2576
H4	2.4750	1.0761	2.2950		3.1612	3.0955	3.0955
H5	2.4750	2.2950	1.0761	3.1612		3.0955	3.0955
H6	1.0896	2.2576	2.2576	3.0955	3.0955		1.8245
H7	1.0896	2.2576	2.2576	3.0955	3.0955	1.8245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.530	C1	C2	H4	145.601
C1	C3	C2	64.530	C1	C3	H5	145.601
C2	C1	C3	50.940	C2	C1	H6	119.580
C2	C1	H7	119.580	C2	C3	H5	149.869
C3	C1	H6	119.580	C3	C1	H7	119.580
C3	C2	H4	149.869	H6	C1	H7	113.707

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/6-31+G**

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	-0.267
2	C	-0.141
3	C	-0.141
4	H	0.147
5	H	0.147
6	H	0.128
7	H	0.128

	x	y	z	Total
	0.000	0.000	-0.435	0.435
CHELPG
AIM
ESP

<r²>	37.251
(<r²>)^1/2	6.103

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)