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	hartrees
Energy at 0K	-19.213645
Energy at 298.15K	-19.216843
HF Energy	-19.213645
Nuclear repulsion energy	33.448896

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	3279	3195	0.50	156.07	0.14	0.24
2	A₁	3025	2948	73.23	143.71	0.18	0.30
3	A₁	1662	1619	17.38	50.36	0.16	0.27
4	A₁	1514	1476	0.92	20.44	0.18	0.31
5	A₁	1121	1093	0.02	14.79	0.15	0.27
6	A₁	921	898	5.63	9.08	0.52	0.69
7	A₂	1003	978	0.00	12.68	0.75	0.86
8	A₂	857	835	0.00	0.23	0.75	0.86
9	B₁	3114	3035	68.46	101.96	0.75	0.86
10	B₁	1088	1060	0.60	3.36	0.75	0.86
11	B₁	621	605	118.63	0.90	0.75	0.86
12	B₂	3224	3142	0.36	89.05	0.75	0.86
13	B₂	1079	1051	37.06	1.64	0.75	0.86
14	B₂	1033	1007	42.23	0.29	0.75	0.86
15	B₂	734	715	13.34	18.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.889
C2	0.000	0.660	-0.515
C3	0.000	-0.660	-0.515
H4	0.000	1.592	-1.061
H5	0.000	-1.592	-1.061
H6	0.918	0.000	1.483
H7	-0.918	0.000	1.483

	C1	C2	C3	H4	H5	H6	H7
C1		1.5515	1.5515	2.5170	2.5170	1.0930	1.0930
C2	1.5515		1.3200	1.0797	2.3168	2.2957	2.2957
C3	1.5515	1.3200		2.3168	1.0797	2.2957	2.2957
H4	2.5170	1.0797	2.3168		3.1833	3.1380	3.1380
H5	2.5170	2.3168	1.0797	3.1833		3.1380	3.1380
H6	1.0930	2.2957	2.2957	3.1380	3.1380		1.8351
H7	1.0930	2.2957	2.2957	3.1380	3.1380	1.8351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.824	C1	C2	H4	145.538
C1	C3	C2	64.824	C1	C3	H5	145.538
C2	C1	C3	50.351	C2	C1	H6	119.461
C2	C1	H7	119.461	C2	C3	H5	149.637
C3	C1	H6	119.461	C3	C1	H7	119.461
C3	C2	H4	149.637	H6	C1	H7	114.162

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/CEP-121G

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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Number	Element	Mulliken
1	C	-0.379
2	C	-0.133
3	C	-0.133
4	H	0.187
5	H	0.187
6	H	0.135
7	H	0.135

	x	y	z	Total
	0.000	0.000	-0.431	0.431
CHELPG
AIM
ESP

<r²>	33.652
(<r²>)^1/2	5.801

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)