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	hartrees
Energy at 0K	-116.662598
Energy at 298.15K	-116.665813
HF Energy	-116.662598
Nuclear repulsion energy	63.948928

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	3300	3186	0.07	141.02	0.14	0.24
2	A₁	3040	2935	72.32	148.35	0.16	0.28
3	A₁	1737	1677	16.97	50.06	0.12	0.21
4	A₁	1528	1475	2.51	13.76	0.24	0.39
5	A₁	1149	1110	0.35	13.45	0.16	0.27
6	A₁	925	893	4.65	5.08	0.52	0.69
7	A₂	1017	982	0.00	9.02	0.75	0.86
8	A₂	871	841	0.00	0.00	0.75	0.86
9	B₁	3102	2995	46.95	102.29	0.75	0.86
10	B₁	1115	1077	1.73	1.07	0.75	0.86
11	B₁	605	584	89.37	0.74	0.75	0.86
12	B₂	3255	3142	0.26	77.76	0.75	0.86
13	B₂	1077	1040	25.28	1.63	0.75	0.86
14	B₂	1037	1001	41.06	0.16	0.75	0.86
15	B₂	783	756	16.33	16.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.644	-0.500
C3	0.000	-0.644	-0.500
H4	0.000	1.574	-1.041
H5	0.000	-1.574	-1.041
H6	0.912	0.000	1.458
H7	-0.912	0.000	1.458

	C1	C2	C3	H4	H5	H6	H7
C1		1.5066	1.5066	2.4691	2.4691	1.0895	1.0895
C2	1.5066		1.2876	1.0755	2.2823	2.2543	2.2543
C3	1.5066	1.2876		2.2823	1.0755	2.2543	2.2543
H4	2.4691	1.0755	2.2823		3.1470	3.0909	3.0909
H5	2.4691	2.2823	1.0755	3.1470		3.0909	3.0909
H6	1.0895	2.2543	2.2543	3.0909	3.0909		1.8234
H7	1.0895	2.2543	2.2543	3.0909	3.0909	1.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.702	C1	C2	H4	145.475
C1	C3	C2	64.702	C1	C3	H5	145.475
C2	C1	C3	50.595	C2	C1	H6	119.670
C2	C1	H7	119.670	C2	C3	H5	149.823
C3	C1	H6	119.670	C3	C1	H7	119.670
C3	C2	H4	149.823	H6	C1	H7	113.607

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/TZVP

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	-0.259
2	C	-0.126
3	C	-0.126
4	H	0.141
5	H	0.141
6	H	0.114
7	H	0.114

	x	y	z	Total
	0.000	0.000	-0.477	0.477
CHELPG
AIM
ESP

<r²>	36.989
(<r²>)^1/2	6.082

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)