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	hartrees
Energy at 0K	-116.563844
Energy at 298.15K	-116.567069
HF Energy	-116.390259
Nuclear repulsion energy	64.028706

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	3326	3179	0.09	147.53	0.15	0.27
2	A₁	3078	2942	66.18	144.45	0.14	0.24
3	A₁	1717	1641	16.88	40.24	0.15	0.26
4	A₁	1537	1469	1.80	14.22	0.20	0.34
5	A₁	1162	1110	0.20	13.36	0.14	0.24
6	A₁	933	892	4.29	5.36	0.60	0.75
7	A₂	1028	982	0.00	6.26	0.75	0.86
8	A₂	865	827	0.00	0.18	0.75	0.86
9	B₁	3142	3003	41.47	93.51	0.75	0.86
10	B₁	1122	1073	1.72	1.27	0.75	0.86
11	B₁	601	575	77.19	0.63	0.75	0.86
12	B₂	3278	3133	0.20	76.86	0.75	0.86
13	B₂	1082	1034	19.87	0.01	0.75	0.86
14	B₂	1046	1000	40.74	0.02	0.75	0.86
15	B₂	793	758	14.07	15.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.645	-0.499
C3	0.000	-0.645	-0.499
H4	0.000	1.572	-1.037
H5	0.000	-1.572	-1.037
H6	0.910	0.000	1.451
H7	-0.910	0.000	1.451

	C1	C2	C3	H4	H5	H6	H7
C1		1.5049	1.5049	2.4639	2.4639	1.0847	1.0847
C2	1.5049		1.2898	1.0715	2.2808	2.2469	2.2469
C3	1.5049	1.2898		2.2808	1.0715	2.2469	2.2469
H4	2.4639	1.0715	2.2808		3.1431	3.0807	3.0807
H5	2.4639	2.2808	1.0715	3.1431		3.0807	3.0807
H6	1.0847	2.2469	2.2469	3.0807	3.0807		1.8191
H7	1.0847	2.2469	2.2469	3.0807	3.0807	1.8191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.625	C1	C2	H4	145.512
C1	C3	C2	64.625	C1	C3	H5	145.512
C2	C1	C3	50.751	C2	C1	H6	119.493
C2	C1	H7	119.493	C2	C3	H5	149.863
C3	C1	H6	119.493	C3	C1	H7	119.493
C3	C2	H4	149.863	H6	C1	H7	113.967

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)