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	hartrees
Energy at 0K	-116.616161
Energy at 298.15K	-116.619399
HF Energy	-116.616161
Nuclear repulsion energy	64.031612

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	3330	3180	0.46	126.96	0.13	0.23
2	A₁	3068	2930	65.37	142.32	0.16	0.28
3	A₁	1759	1679	16.80	53.64	0.11	0.20
4	A₁	1533	1464	1.85	12.33	0.26	0.42
5	A₁	1160	1107	0.16	14.19	0.15	0.27
6	A₁	927	885	5.35	5.05	0.51	0.68
7	A₂	1025	979	0.00	8.82	0.75	0.86
8	A₂	885	845	0.00	0.01	0.75	0.86
9	B₁	3137	2996	42.18	96.09	0.75	0.86
10	B₁	1119	1069	2.02	0.98	0.75	0.86
11	B₁	613	586	97.29	0.61	0.75	0.86
12	B₂	3283	3135	1.40	69.16	0.75	0.86
13	B₂	1086	1037	28.74	1.32	0.75	0.86
14	B₂	1052	1004	35.27	0.00	0.75	0.86
15	B₂	807	770	20.75	16.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.861
C2	0.000	0.642	-0.500
C3	0.000	-0.642	-0.500
H4	0.000	1.572	-1.040
H5	0.000	-1.572	-1.040
H6	0.913	0.000	1.456
H7	-0.913	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.5047	1.5047	2.4669	2.4669	1.0892	1.0892
C2	1.5047		1.2847	1.0751	2.2790	2.2514	2.2514
C3	1.5047	1.2847		2.2790	1.0751	2.2514	2.2514
H4	2.4669	1.0751	2.2790		3.1431	3.0876	3.0876
H5	2.4669	2.2790	1.0751	3.1431		3.0876	3.0876
H6	1.0892	2.2514	2.2514	3.0876	3.0876		1.8252
H7	1.0892	2.2514	2.2514	3.0876	3.0876	1.8252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.731	C1	C2	H4	145.467
C1	C3	C2	64.731	C1	C3	H5	145.467
C2	C1	C3	50.539	C2	C1	H6	119.583
C2	C1	H7	119.583	C2	C3	H5	149.802
C3	C1	H6	119.583	C3	C1	H7	119.583
C3	C2	H4	149.802	H6	C1	H7	113.825

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/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	-0.249
2	C	-0.141
3	C	-0.141
4	H	0.151
5	H	0.151
6	H	0.115
7	H	0.115

	x	y	z	Total
	0.000	0.000	-0.491	0.491
CHELPG
AIM
ESP

<r²>	36.767
(<r²>)^1/2	6.064

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)