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	hartrees
Energy at 0K	-116.522354
Energy at 298.15K	-116.525592
HF Energy	-116.522354
Nuclear repulsion energy	64.137227

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	3314	3314	0.27	136.84	0.13	0.23
2	A₁	3051	3051	69.41	133.18	0.14	0.24
3	A₁	1748	1748	15.45	61.31	0.07	0.13
4	A₁	1522	1522	1.25	10.10	0.24	0.39
5	A₁	1180	1180	0.29	17.08	0.12	0.22
6	A₁	930	930	5.21	4.16	0.62	0.76
7	A₂	1024	1024	0.00	2.53	0.75	0.86
8	A₂	877	877	0.00	0.93	0.75	0.86
9	B₁	3115	3115	39.79	105.64	0.75	0.86
10	B₁	1115	1115	1.56	0.10	0.75	0.86
11	B₁	611	611	85.51	0.01	0.75	0.86
12	B₂	3267	3267	0.62	74.47	0.75	0.86
13	B₂	1081	1081	26.53	0.33	0.75	0.86
14	B₂	1045	1045	31.13	0.12	0.75	0.86
15	B₂	816	816	19.28	12.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
C2	0.000	0.643	-0.497
C3	0.000	-0.643	-0.497
H4	0.000	1.574	-1.037
H5	0.000	-1.574	-1.037
H6	0.912	0.000	1.453
H7	-0.912	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.4981	1.4981	2.4612	2.4612	1.0896	1.0896
C2	1.4981		1.2863	1.0755	2.2815	2.2464	2.2464
C3	1.4981	1.2863		2.2815	1.0755	2.2464	2.2464
H4	2.4612	1.0755	2.2815		3.1473	3.0828	3.0828
H5	2.4612	2.2815	1.0755	3.1473		3.0828	3.0828
H6	1.0896	2.2464	2.2464	3.0828	3.0828		1.8232
H7	1.0896	2.2464	2.2464	3.0828	3.0828	1.8232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.575	C1	C2	H4	145.527
C1	C3	C2	64.575	C1	C3	H5	145.527
C2	C1	C3	50.850	C2	C1	H6	119.647
C2	C1	H7	119.647	C2	C3	H5	149.898
C3	C1	H6	119.647	C3	C1	H7	119.647
C3	C2	H4	149.898	H6	C1	H7	113.580

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.377
2	C	-0.098
3	C	-0.098
4	H	0.176
5	H	0.176
6	H	0.111
7	H	0.111

	x	y	z	Total
	0.000	0.000	-0.476	0.476
CHELPG
AIM
ESP

<r²>	36.734
(<r²>)^1/2	6.061

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)