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	hartrees
Energy at 0K	-116.436533
Energy at 298.15K	-116.439796
HF Energy	-116.436533
Nuclear repulsion energy	63.494722

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	3387	3238	0.10	129.41	0.12	0.21
2	A₁	3110	2973	49.67	126.26	0.15	0.27
3	A₁	1745	1668	8.83	34.81	0.20	0.34
4	A₁	1566	1497	1.55	17.20	0.31	0.47
5	A₁	1184	1132	0.48	8.66	0.20	0.34
6	A₁	949	907	6.16	8.43	0.64	0.78
7	A₂	1039	993	0.00	18.51	0.75	0.86
8	A₂	888	849	0.00	0.06	0.75	0.86
9	B₁	3185	3045	54.91	87.28	0.75	0.86
10	B₁	1137	1087	1.43	3.87	0.75	0.86
11	B₁	641	612	104.00	1.31	0.75	0.86
12	B₂	3335	3188	0.28	66.78	0.75	0.86
13	B₂	1132	1082	33.56	0.60	0.75	0.86
14	B₂	1075	1027	39.80	0.16	0.75	0.86
15	B₂	800	765	14.47	18.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.868
C2	0.000	0.652	-0.504
C3	0.000	-0.652	-0.504
H4	0.000	1.581	-1.044
H5	0.000	-1.581	-1.044
H6	0.912	0.000	1.466
H7	-0.912	0.000	1.466

	C1	C2	C3	H4	H5	H6	H7
C1		1.5193	1.5193	2.4809	2.4809	1.0904	1.0904
C2	1.5193		1.3033	1.0745	2.2967	2.2669	2.2669
C3	1.5193	1.3033		2.2967	1.0745	2.2669	2.2669
H4	2.4809	1.0745	2.2967		3.1616	3.1033	3.1033
H5	2.4809	2.2967	1.0745	3.1616		3.1033	3.1033
H6	1.0904	2.2669	2.2669	3.1033	3.1033		1.8237
H7	1.0904	2.2669	2.2669	3.1033	3.1033	1.8237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.603	C1	C2	H4	145.540
C1	C3	C2	64.603	C1	C3	H5	145.540
C2	C1	C3	50.795	C2	C1	H6	119.695
C2	C1	H7	119.695	C2	C3	H5	149.857
C3	C1	H6	119.695	C3	C1	H7	119.695
C3	C2	H4	149.857	H6	C1	H7	113.487

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: PBE1PBE/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	-0.368
2	C	-0.158
3	C	-0.158
4	H	0.181
5	H	0.181
6	H	0.160
7	H	0.160

	x	y	z	Total
	0.000	0.000	-0.486	0.486
CHELPG
AIM
ESP

<r²>	37.045
(<r²>)^1/2	6.086

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)