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	hartrees
Energy at 0K	-116.271164
Energy at 298.15K	-116.274370
HF Energy	-115.831029
Nuclear repulsion energy	63.170491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3334	3334	0.16
2	A₁	3094	3094	55.20
3	A₁	1718	1718	14.53
4	A₁	1522	1522	2.40
5	A₁	1187	1187	0.30
6	A₁	929	929	3.23
7	A₂	1018	1018	0.00
8	A₂	832	832	0.00
9	B₁	3168	3168	45.99
10	B₁	1105	1105	2.01
11	B₁	591	591	68.00
12	B₂	3289	3289	0.31
13	B₂	1082	1082	32.73
14	B₂	1044	1044	17.79
15	B₂	803	803	14.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.868
C2	0.000	0.656	-0.504
C3	0.000	-0.656	-0.504
H4	0.000	1.597	-1.050
H5	0.000	-1.597	-1.050
H6	0.923	0.000	1.469
H7	-0.923	0.000	1.469

	C1	C2	C3	H4	H5	H6	H7
C1		1.5207	1.5207	2.4962	2.4962	1.1012	1.1012
C2	1.5207		1.3123	1.0881	2.3185	2.2747	2.2747
C3	1.5207	1.3123		2.3185	1.0881	2.2747	2.2747
H4	2.4962	1.0881	2.3185		3.1940	3.1225	3.1225
H5	2.4962	2.3185	1.0881	3.1940		3.1225	3.1225
H6	1.1012	2.2747	2.2747	3.1225	3.1225		1.8453
H7	1.1012	2.2747	2.2747	3.1225	3.1225	1.8453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.437	C1	C2	H4	145.719
C1	C3	C2	64.437	C1	C3	H5	145.719
C2	C1	C3	51.125	C2	C1	H6	119.503
C2	C1	H7	119.503	C2	C3	H5	149.844
C3	C1	H6	119.503	C3	C1	H7	119.503
C3	C2	H4	149.844	H6	C1	H7	113.826

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCSD=FULL/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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All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)