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	hartrees
Energy at 0K	-116.583313
Energy at 298.15K	-116.586477
HF Energy	-116.583313
Nuclear repulsion energy	63.803025

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	3235	3193	0.29	153.87	0.14	0.25
2	A₁	2974	2935	84.11	139.40	0.14	0.25
3	A₁	1695	1673	16.51	60.18	0.07	0.14
4	A₁	1495	1476	2.36	11.70	0.23	0.37
5	A₁	1134	1119	0.73	17.94	0.12	0.21
6	A₁	903	892	4.08	4.63	0.58	0.73
7	A₂	999	986	0.00	2.15	0.75	0.86
8	A₂	831	821	0.00	0.94	0.75	0.86
9	B₁	3033	2994	52.64	116.49	0.75	0.86
10	B₁	1095	1080	1.48	0.10	0.75	0.86
11	B₁	577	569	80.44	0.02	0.75	0.86
12	B₂	3190	3149	0.57	88.49	0.75	0.86
13	B₂	1048	1034	26.00	0.24	0.75	0.86
14	B₂	1008	994	30.37	0.06	0.75	0.86
15	B₂	788	777	15.87	13.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.647	-0.500
C3	0.000	-0.647	-0.500
H4	0.000	1.581	-1.041
H5	0.000	-1.581	-1.041
H6	0.915	0.000	1.460
H7	-0.915	0.000	1.460

	C1	C2	C3	H4	H5	H6	H7
C1		1.5062	1.5062	2.4728	2.4728	1.0938	1.0938
C2	1.5062		1.2947	1.0793	2.2932	2.2573	2.2573
C3	1.5062	1.2947		2.2932	1.0793	2.2573	2.2573
H4	2.4728	1.0793	2.2932		3.1621	3.0969	3.0969
H5	2.4728	2.2932	1.0793	3.1621		3.0969	3.0969
H6	1.0938	2.2573	2.2573	3.0969	3.0969		1.8297
H7	1.0938	2.2573	2.2573	3.0969	3.0969	1.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.545	C1	C2	H4	145.562
C1	C3	C2	64.545	C1	C3	H5	145.562
C2	C1	C3	50.910	C2	C1	H6	119.663
C2	C1	H7	119.663	C2	C3	H5	149.892
C3	C1	H6	119.663	C3	C1	H7	119.663
C3	C2	H4	149.892	H6	C1	H7	113.525

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B97D3/6-311+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	-0.343
2	C	-0.108
3	C	-0.108
4	H	0.169
5	H	0.169
6	H	0.111
7	H	0.111

	x	y	z	Total
	0.000	0.000	-0.460	0.460
CHELPG
AIM
ESP

<r²>	37.069
(<r²>)^1/2	6.088

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)