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	hartrees
Energy at 0K	-116.319094
Energy at 298.15K	-116.322402
HF Energy	-115.869493
Nuclear repulsion energy	64.290375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3412	3412	0.73
2	A₁	3156	3156	60.97
3	A₁	1787	1787	18.76
4	A₁	1584	1584	1.43
5	A₁	1208	1208	0.00
6	A₁	968	968	3.90
7	A₂	1061	1061	0.00
8	A₂	920	920	0.00
9	B₁	3225	3225	38.12
10	B₁	1156	1156	2.45
11	B₁	646	646	89.04
12	B₂	3364	3364	1.51
13	B₂	1132	1132	25.93
14	B₂	1093	1093	30.02
15	B₂	841	841	18.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.642	-0.498
C3	0.000	-0.642	-0.498
H4	0.000	1.566	-1.032
H5	0.000	-1.566	-1.032
H6	0.906	0.000	1.447
H7	-0.906	0.000	1.447

	C1	C2	C3	H4	H5	H6	H7
C1		1.4991	1.4991	2.4540	2.4540	1.0808	1.0808
C2	1.4991		1.2834	1.0677	2.2713	2.2388	2.2388
C3	1.4991	1.2834		2.2713	1.0677	2.2388	2.2388
H4	2.4540	1.0677	2.2713		3.1316	3.0688	3.0688
H5	2.4540	2.2713	1.0677	3.1316		3.0688	3.0688
H6	1.0808	2.2388	2.2388	3.0688	3.0688		1.8118
H7	1.0808	2.2388	2.2388	3.0688	3.0688	1.8118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.656	C1	C2	H4	145.403
C1	C3	C2	64.656	C1	C3	H5	145.403
C2	C1	C3	50.689	C2	C1	H6	119.528
C2	C1	H7	119.528	C2	C3	H5	149.941
C3	C1	H6	119.528	C3	C1	H7	119.528
C3	C2	H4	149.941	H6	C1	H7	113.904

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CISD/Def2TZVPP

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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All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: CISD/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)