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	hartrees
Energy at 0K	-116.436424
Energy at 298.15K	-116.439684
HF Energy	-115.866526
Nuclear repulsion energy	64.111149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	3171	0.61
2	A₁	3108	2955	55.78
3	A₁	1738	1653	18.36
4	A₁	1552	1476	0.85
5	A₁	1186	1128	0.00
6	A₁	950	904	3.99
7	A₂	1043	992	0.00
8	A₂	878	835	0.00
9	B₁	3154	3000	33.23
10	B₁	1125	1070	1.86
11	B₁	618	588	81.49
12	B₂	3273	3113	0.94
13	B₂	1097	1044	16.29
14	B₂	1060	1008	37.45
15	B₂	815	775	15.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.859
C2	0.000	0.645	-0.499
C3	0.000	-0.645	-0.499
H4	0.000	1.570	-1.034
H5	0.000	-1.570	-1.034
H6	0.909	0.000	1.447
H7	-0.909	0.000	1.447

	C1	C2	C3	H4	H5	H6	H7
C1		1.5030	1.5030	2.4597	2.4597	1.0826	1.0826
C2	1.5030		1.2891	1.0694	2.2786	2.2422	2.2422
C3	1.5030	1.2891		2.2786	1.0694	2.2422	2.2422
H4	2.4597	1.0694	2.2786		3.1406	3.0737	3.0737
H5	2.4597	2.2786	1.0694	3.1406		3.0737	3.0737
H6	1.0826	2.2422	2.2422	3.0737	3.0737		1.8185
H7	1.0826	2.2422	2.2422	3.0737	3.0737	1.8185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.606	C1	C2	H4	145.436
C1	C3	C2	64.606	C1	C3	H5	145.436
C2	C1	C3	50.788	C2	C1	H6	119.368
C2	C1	H7	119.368	C2	C3	H5	149.958
C3	C1	H6	119.368	C3	C1	H7	119.368
C3	C2	H4	149.958	H6	C1	H7	114.243

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)