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	hartrees
Energy at 0K	-116.512732
Energy at 298.15K	-116.515972
HF Energy	-116.512732
Nuclear repulsion energy	63.998435

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	3320	3189	0.06	138.21	0.14	0.25
2	A₁	3053	2932	73.78	145.06	0.16	0.27
3	A₁	1752	1683	12.65	42.49	0.17	0.29
4	A₁	1520	1460	2.15	13.82	0.26	0.41
5	A₁	1185	1138	0.66	10.62	0.19	0.32
6	A₁	928	891	5.92	5.18	0.62	0.76
7	A₂	1023	982	0.00	9.17	0.75	0.86
8	A₂	878	843	0.00	0.11	0.75	0.86
9	B₁	3119	2995	54.21	102.92	0.75	0.86
10	B₁	1113	1069	1.68	1.99	0.75	0.86
11	B₁	617	592	83.65	0.77	0.75	0.86
12	B₂	3271	3142	0.19	74.66	0.75	0.86
13	B₂	1078	1035	35.14	0.18	0.75	0.86
14	B₂	1038	997	28.04	0.01	0.75	0.86
15	B₂	818	786	19.67	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	-0.498
C3	0.000	-0.645	-0.498
H4	0.000	1.577	-1.037
H5	0.000	-1.577	-1.037
H6	0.913	0.000	1.455
H7	-0.913	0.000	1.455

	C1	C2	C3	H4	H5	H6	H7
C1		1.5015	1.5015	2.4654	2.4654	1.0917	1.0917
C2	1.5015		1.2897	1.0769	2.2864	2.2511	2.2511
C3	1.5015	1.2897		2.2864	1.0769	2.2511	2.2511
H4	2.4654	1.0769	2.2864		3.1543	3.0880	3.0880
H5	2.4654	2.2864	1.0769	3.1543		3.0880	3.0880
H6	1.0917	2.2511	2.2511	3.0880	3.0880		1.8269
H7	1.0917	2.2511	2.2511	3.0880	3.0880	1.8269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.566	C1	C2	H4	145.466
C1	C3	C2	64.566	C1	C3	H5	145.466
C2	C1	C3	50.868	C2	C1	H6	119.641
C2	C1	H7	119.641	C2	C3	H5	149.968
C3	C1	H6	119.641	C3	C1	H7	119.641
C3	C2	H4	149.968	H6	C1	H7	113.589

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HSEh1PBE/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	-0.226
2	C	-0.121
3	C	-0.121
4	H	0.110
5	H	0.110
6	H	0.124
7	H	0.124

	x	y	z	Total
	0.000	0.000	-0.500	0.500
CHELPG
AIM
ESP

<r²>	36.746
(<r²>)^1/2	6.062

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)