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	hartrees
Energy at 0K	-116.549627
Energy at 298.15K	-116.552772
HF Energy	-116.549627
Nuclear repulsion energy	63.336304

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	3238	3210	0.72	172.61	0.13	0.24
2	A₁	2969	2944	81.99	158.94	0.15	0.25
3	A₁	1706	1692	11.67	39.69	0.19	0.32
4	A₁	1467	1454	4.34	16.88	0.32	0.49
5	A₁	1147	1137	1.90	10.74	0.19	0.32
6	A₁	891	883	3.55	8.18	0.67	0.80
7	A₂	985	977	0.00	12.05	0.75	0.86
8	A₂	821	814	0.00	0.00	0.75	0.86
9	B₁	3036	3011	64.21	112.23	0.75	0.86
10	B₁	1077	1068	1.35	3.29	0.75	0.86
11	B₁	576	571	57.14	1.41	0.75	0.86
12	B₂	3191	3164	1.26	91.54	0.75	0.86
13	B₂	1033	1024	33.28	0.06	0.75	0.86
14	B₂	988	980	19.70	0.00	0.75	0.86
15	B₂	785	778	14.18	18.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
C2	0.000	0.653	-0.502
C3	0.000	-0.653	-0.502
H4	0.000	1.597	-1.048
H5	0.000	-1.597	-1.048
H6	0.924	0.000	1.470
H7	-0.924	0.000	1.470

	C1	C2	C3	H4	H5	H6	H7
C1		1.5131	1.5131	2.4900	2.4900	1.1057	1.1057
C2	1.5131		1.3068	1.0900	2.3155	2.2737	2.2737
C3	1.5131	1.3068		2.3155	1.0900	2.2737	2.2737
H4	2.4900	1.0900	2.3155		3.1938	3.1215	3.1215
H5	2.4900	2.3155	1.0900	3.1938		3.1215	3.1215
H6	1.1057	2.2737	2.2737	3.1215	3.1215		1.8480
H7	1.1057	2.2737	2.2737	3.1215	3.1215	1.8480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.417	C1	C2	H4	145.634
C1	C3	C2	64.417	C1	C3	H5	145.634
C2	C1	C3	51.167	C2	C1	H6	119.698
C2	C1	H7	119.698	C2	C3	H5	149.950
C3	C1	H6	119.698	C3	C1	H7	119.698
C3	C2	H4	149.950	H6	C1	H7	113.366

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B97D3/cc-pVDZ

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	0.023
2	C	-0.014
3	C	-0.014
4	H	-0.014
5	H	-0.014
6	H	0.017
7	H	0.017

	x	y	z	Total
	0.000	0.000	-0.515	0.515
CHELPG
AIM
ESP

<r²>	37.269
(<r²>)^1/2	6.105

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)