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	hartrees
Energy at 0K	-116.377275
Energy at 298.15K	-116.380519
HF Energy	-115.866164
Nuclear repulsion energy	63.912106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	3191	0.44
2	A₁	3095	2962	54.64
3	A₁	1733	1658	17.77
4	A₁	1544	1478	0.95
5	A₁	1179	1128	0.00
6	A₁	942	902	3.88
7	A₂	1034	989	0.00
8	A₂	866	829	0.00
9	B₁	3166	3030	33.01
10	B₁	1119	1071	1.78
11	B₁	605	579	81.87
12	B₂	3286	3145	0.93
13	B₂	1094	1047	18.54
14	B₂	1058	1012	32.60
15	B₂	814	779	16.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.646	-0.500
C3	0.000	-0.646	-0.500
H4	0.000	1.575	-1.038
H5	0.000	-1.575	-1.038
H6	0.912	0.000	1.452
H7	-0.912	0.000	1.452

	C1	C2	C3	H4	H5	H6	H7
C1		1.5081	1.5081	2.4682	2.4682	1.0860	1.0860
C2	1.5081		1.2921	1.0734	2.2854	2.2496	2.2496
C3	1.5081	1.2921		2.2854	1.0734	2.2496	2.2496
H4	2.4682	1.0734	2.2854		3.1504	3.0842	3.0842
H5	2.4682	2.2854	1.0734	3.1504		3.0842	3.0842
H6	1.0860	2.2496	2.2496	3.0842	3.0842		1.8240
H7	1.0860	2.2496	2.2496	3.0842	3.0842	1.8240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.634	C1	C2	H4	145.416
C1	C3	C2	64.634	C1	C3	H5	145.416
C2	C1	C3	50.733	C2	C1	H6	119.381
C2	C1	H7	119.381	C2	C3	H5	149.950
C3	C1	H6	119.381	C3	C1	H7	119.381
C3	C2	H4	149.950	H6	C1	H7	114.229

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)