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	hartrees
Energy at 0K	-115.926134
Energy at 298.15K	-115.929398
HF Energy	-115.926134
Nuclear repulsion energy	63.418438

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	3379	3379	1.18	102.42	0.12	0.21
2	A₁	3129	3129	33.13	102.39	0.15	0.27
3	A₁	1731	1731	8.41	29.82	0.23	0.37
4	A₁	1563	1563	0.61	14.11	0.37	0.54
5	A₁	1132	1132	1.18	7.70	0.20	0.33
6	A₁	936	936	5.10	9.66	0.59	0.74
7	A₂	1045	1045	0.00	19.63	0.75	0.86
8	A₂	927	927	0.00	0.04	0.75	0.86
9	B₁	3211	3211	34.74	73.58	0.75	0.86
10	B₁	1122	1122	2.82	3.70	0.75	0.86
11	B₁	674	674	113.50	1.20	0.75	0.86
12	B₂	3327	3327	2.11	56.24	0.75	0.86
13	B₂	1113	1113	21.52	0.18	0.75	0.86
14	B₂	1073	1073	61.36	0.39	0.75	0.86
15	B₂	750	750	11.82	18.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.879
C2	0.000	0.648	-0.508
C3	0.000	-0.648	-0.508
H4	0.000	1.572	-1.050
H5	0.000	-1.572	-1.050
H6	0.918	0.000	1.461
H7	-0.918	0.000	1.461

	C1	C2	C3	H4	H5	H6	H7
C1		1.5314	1.5314	2.4887	2.4887	1.0868	1.0868
C2	1.5314		1.2965	1.0708	2.2851	2.2671	2.2671
C3	1.5314	1.2965		2.2851	1.0708	2.2671	2.2671
H4	2.4887	1.0708	2.2851		3.1432	3.1014	3.1014
H5	2.4887	2.2851	1.0708	3.1432		3.1014	3.1014
H6	1.0868	2.2671	2.2671	3.1014	3.1014		1.8364
H7	1.0868	2.2671	2.2671	3.1014	3.1014	1.8364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.958	C1	C2	H4	145.464
C1	C3	C2	64.958	C1	C3	H5	145.464
C2	C1	C3	50.084	C2	C1	H6	118.990
C2	C1	H7	118.990	C2	C3	H5	149.578
C3	C1	H6	118.990	C3	C1	H7	118.990
C3	C2	H4	149.578	H6	C1	H7	115.319

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/3-21G

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	-0.401
2	C	-0.230
3	C	-0.230
4	H	0.219
5	H	0.219
6	H	0.211
7	H	0.211

	x	y	z	Total
	0.000	0.000	-0.479	0.479
CHELPG
AIM
ESP

<r²>	37.131
(<r²>)^1/2	6.094

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)