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	hartrees
Energy at 0K	-116.289403
Energy at 298.15K	-116.292576
HF Energy	-115.835107
Nuclear repulsion energy	63.151290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3327	3327	0.11
2	A₁	3078	3078	61.03
3	A₁	1703	1703	19.25
4	A₁	1520	1520	1.58
5	A₁	1167	1167	0.00
6	A₁	924	924	3.27
7	A₂	1016	1016	0.00
8	A₂	798	798	0.00
9	B₁	3152	3152	38.97
10	B₁	1096	1096	1.69
11	B₁	562	562	81.83
12	B₂	3281	3281	0.22
13	B₂	1074	1074	27.23
14	B₂	1032	1032	22.49
15	B₂	793	793	15.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.870
C2	0.000	0.656	-0.505
C3	0.000	-0.656	-0.505
H4	0.000	1.595	-1.049
H5	0.000	-1.595	-1.049
H6	0.921	0.000	1.468
H7	-0.921	0.000	1.468

	C1	C2	C3	H4	H5	H6	H7
C1		1.5238	1.5238	2.4957	2.4957	1.0983	1.0983
C2	1.5238		1.3127	1.0851	2.3164	2.2743	2.2743
C3	1.5238	1.3127		2.3164	1.0851	2.2743	2.2743
H4	2.4957	1.0851	2.3164		3.1903	3.1193	3.1193
H5	2.4957	2.3164	1.0851	3.1903		3.1193	3.1193
H6	1.0983	2.2743	2.2743	3.1193	3.1193		1.8425
H7	1.0983	2.2743	2.2743	3.1193	3.1193	1.8425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.485	C1	C2	H4	145.613
C1	C3	C2	64.485	C1	C3	H5	145.613
C2	C1	C3	51.030	C2	C1	H6	119.427
C2	C1	H7	119.427	C2	C3	H5	149.902
C3	C1	H6	119.427	C3	C1	H7	119.427
C3	C2	H4	149.902	H6	C1	H7	114.032

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCSD=FULL/daug-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/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)