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	hartrees
Energy at 0K	-116.500939
Energy at 298.15K
HF Energy	-116.359273
Nuclear repulsion energy	63.418317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3322	3322	0.04	157.86	0.12	0.22
2	A₁	3073	3073	68.57	156.34	0.12	0.21
3	A₁	1703	1703	18.55	60.19	0.06	0.12
4	A₁	1516	1516	1.63	12.11	0.17	0.29
5	A₁	1154	1154	0.07	17.73	0.11	0.19
6	A₁	921	921	3.89	5.22	0.58	0.74
7	A₂	1010	1010	0.00	2.13	0.75	0.86
8	A₂	811	811	0.00	1.05	0.75	0.86
9	B₁	3149	3149	40.66	107.20	0.75	0.86
10	B₁	1100	1100	1.30	0.14	0.75	0.86
11	B₁	563	563	84.32	0.10	0.75	0.86
12	B₂	3276	3276	0.32	84.75	0.75	0.86
13	B₂	1061	1061	25.60	0.19	0.75	0.86
14	B₂	1025	1025	30.80	0.00	0.75	0.86
15	B₂	780	780	14.87	13.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.867
C2	0.000	0.653	-0.503
C3	0.000	-0.653	-0.503
H4	0.000	1.587	-1.048
H5	0.000	-1.587	-1.048
H6	0.918	0.000	1.464
H7	-0.918	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5175	1.5175	2.4871	2.4871	1.0950	1.0950
C2	1.5175		1.3053	1.0819	2.3054	2.2664	2.2664
C3	1.5175	1.3053		2.3054	1.0819	2.2664	2.2664
H4	2.4871	1.0819	2.3054		3.1750	3.1096	3.1096
H5	2.4871	2.3054	1.0819	3.1750		3.1096	3.1096
H6	1.0950	2.2664	2.2664	3.1096	3.1096		1.8363
H7	1.0950	2.2664	2.2664	3.1096	3.1096	1.8363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.527	C1	C2	H4	145.697
C1	C3	C2	64.527	C1	C3	H5	145.697
C2	C1	C3	50.946	C2	C1	H6	119.469
C2	C1	H7	119.469	C2	C3	H5	149.776
C3	C1	H6	119.469	C3	C1	H7	119.469
C3	C2	H4	149.776	H6	C1	H7	113.961

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)