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	hartrees
Energy at 0K	-116.540988
Energy at 298.15K	-116.544232
HF Energy	-116.540988
Nuclear repulsion energy	63.418246

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	3369	3227	0.00	133.61	0.12	0.21
2	A₁	3093	2962	54.01	128.06	0.15	0.27
3	A₁	1734	1660	9.45	34.00	0.21	0.34
4	A₁	1561	1495	1.77	17.77	0.30	0.46
5	A₁	1172	1123	0.54	8.43	0.20	0.33
6	A₁	943	903	5.66	8.78	0.64	0.78
7	A₂	1033	989	0.00	18.70	0.75	0.86
8	A₂	880	843	0.00	0.06	0.75	0.86
9	B₁	3167	3033	59.20	89.33	0.75	0.86
10	B₁	1133	1085	1.39	3.96	0.75	0.86
11	B₁	633	606	101.01	1.36	0.75	0.86
12	B₂	3317	3177	0.00	69.69	0.75	0.86
13	B₂	1124	1076	32.51	0.65	0.75	0.86
14	B₂	1067	1022	40.54	0.26	0.75	0.86
15	B₂	787	754	13.22	18.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.870
C2	0.000	0.652	-0.505
C3	0.000	-0.652	-0.505
H4	0.000	1.582	-1.046
H5	0.000	-1.582	-1.046
H6	0.912	0.000	1.468
H7	-0.912	0.000	1.468

	C1	C2	C3	H4	H5	H6	H7
C1		1.5220	1.5220	2.4841	2.4841	1.0911	1.0911
C2	1.5220		1.3044	1.0750	2.2982	2.2700	2.2700
C3	1.5220	1.3044		2.2982	1.0750	2.2700	2.2700
H4	2.4841	1.0750	2.2982		3.1630	3.1071	3.1071
H5	2.4841	2.2982	1.0750	3.1630		3.1071	3.1071
H6	1.0911	2.2700	2.2700	3.1071	3.1071		1.8244
H7	1.0911	2.2700	2.2700	3.1071	3.1071	1.8244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.626	C1	C2	H4	145.553
C1	C3	C2	64.626	C1	C3	H5	145.553
C2	C1	C3	50.747	C2	C1	H6	119.714
C2	C1	H7	119.714	C2	C3	H5	149.820
C3	C1	H6	119.714	C3	C1	H7	119.714
C3	C2	H4	149.820	H6	C1	H7	113.460

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3PW91/6-31G

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	-0.357
2	C	-0.151
3	C	-0.151
4	H	0.175
5	H	0.175
6	H	0.155
7	H	0.155

	x	y	z	Total
	0.000	0.000	-0.484	0.484
CHELPG
AIM
ESP

<r²>	37.082
(<r²>)^1/2	6.090

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)