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	hartrees
Energy at 0K	-116.281238
Energy at 298.15K	-116.284405
HF Energy	-115.834879
Nuclear repulsion energy	63.086303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3319	0.09
2	A₁	3075	3075	60.99
3	A₁	1699	1699	19.42
4	A₁	1519	1519	1.60
5	A₁	1164	1164	0.00
6	A₁	922	922	3.17
7	A₂	1013	1013	0.00
8	A₂	794	794	0.00
9	B₁	3149	3149	39.00
10	B₁	1094	1094	1.69
11	B₁	559	559	81.91
12	B₂	3274	3274	0.18
13	B₂	1070	1070	27.23
14	B₂	1032	1032	22.59
15	B₂	790	790	15.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.872
C2	0.000	0.657	-0.505
C3	0.000	-0.657	-0.505
H4	0.000	1.596	-1.052
H5	0.000	-1.596	-1.052
H6	0.922	0.000	1.470
H7	-0.922	0.000	1.470

	C1	C2	C3	H4	H5	H6	H7
C1		1.5257	1.5257	2.4991	2.4991	1.0991	1.0991
C2	1.5257		1.3138	1.0861	2.3178	2.2765	2.2765
C3	1.5257	1.3138		2.3178	1.0861	2.2765	2.2765
H4	2.4991	1.0861	2.3178		3.1913	3.1231	3.1231
H5	2.4991	2.3178	1.0861	3.1913		3.1231	3.1231
H6	1.0991	2.2765	2.2765	3.1231	3.1231		1.8444
H7	1.0991	2.2765	2.2765	3.1231	3.1231	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.498	C1	C2	H4	145.700
C1	C3	C2	64.498	C1	C3	H5	145.700
C2	C1	C3	51.005	C2	C1	H6	119.409
C2	C1	H7	119.409	C2	C3	H5	149.802
C3	C1	H6	119.409	C3	C1	H7	119.409
C3	C2	H4	149.802	H6	C1	H7	114.082

All results from a given calculation for C₃H₄ (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)