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	hartrees
Energy at 0K	-116.499813
Energy at 298.15K
HF Energy	-116.358577
Nuclear repulsion energy	63.406826

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	3323	3197	0.03	156.82	0.13	0.22
2	A₁	3075	2959	66.77	150.78	0.12	0.22
3	A₁	1704	1639	18.36	59.55	0.07	0.13
4	A₁	1516	1459	1.53	11.59	0.17	0.29
5	A₁	1155	1112	0.10	18.21	0.11	0.20
6	A₁	922	888	4.10	5.03	0.56	0.72
7	A₂	1010	972	0.00	2.26	0.75	0.86
8	A₂	805	775	0.00	1.04	0.75	0.86
9	B₁	3150	3032	40.13	107.17	0.75	0.86
10	B₁	1102	1060	1.27	0.14	0.75	0.86
11	B₁	561	539	85.44	0.06	0.75	0.86
12	B₂	3277	3154	0.34	83.29	0.75	0.86
13	B₂	1059	1019	23.98	0.18	0.75	0.86
14	B₂	1025	987	32.62	0.02	0.75	0.86
15	B₂	780	751	14.76	13.98	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	1.589	-1.047
H5	0.000	-1.589	-1.047
H6	0.919	0.000	1.464
H7	-0.919	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5175	1.5175	2.4878	2.4878	1.0955	1.0955
C2	1.5175		1.3052	1.0830	2.3067	2.2666	2.2666
C3	1.5175	1.3052		2.3067	1.0830	2.2666	2.2666
H4	2.4878	1.0830	2.3067		3.1779	3.1102	3.1102
H5	2.4878	2.3067	1.0830	3.1779		3.1102	3.1102
H6	1.0955	2.2666	2.2666	3.1102	3.1102		1.8377
H7	1.0955	2.2666	2.2666	3.1102	3.1102	1.8377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.530	C1	C2	H4	145.634
C1	C3	C2	64.530	C1	C3	H5	145.634
C2	C1	C3	50.941	C2	C1	H6	119.447
C2	C1	H7	119.447	C2	C3	H5	149.836
C3	C1	H6	119.447	C3	C1	H7	119.447
C3	C2	H4	149.836	H6	C1	H7	114.012

All results from a given calculation for C₃H₄ (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)