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	hartrees
Energy at 0K	-116.587337
Energy at 298.15K	-116.590594
HF Energy	-116.587337
Nuclear repulsion energy	63.958425

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	3347	3347	0.06	125.16	0.13	0.23
2	A₁	3065	3065	65.20	120.08	0.15	0.26
3	A₁	1763	1763	12.90	36.78	0.17	0.29
4	A₁	1532	1532	2.95	14.13	0.32	0.48
5	A₁	1167	1167	0.66	10.04	0.15	0.26
6	A₁	940	940	3.65	8.69	0.63	0.77
7	A₂	1025	1025	0.00	12.80	0.75	0.86
8	A₂	898	898	0.00	0.01	0.75	0.86
9	B₁	3135	3135	47.46	82.38	0.75	0.86
10	B₁	1119	1119	2.52	2.16	0.75	0.86
11	B₁	636	636	65.97	1.03	0.75	0.86
12	B₂	3297	3297	0.18	66.96	0.75	0.86
13	B₂	1086	1086	34.16	0.08	0.75	0.86
14	B₂	1054	1054	24.85	0.05	0.75	0.86
15	B₂	820	820	14.08	17.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.644	-0.500
C3	0.000	-0.644	-0.500
H4	0.000	1.575	-1.038
H5	0.000	-1.575	-1.038
H6	0.913	0.000	1.459
H7	-0.913	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5052	1.5052	2.4665	2.4665	1.0917	1.0917
C2	1.5052		1.2878	1.0751	2.2830	2.2552	2.2552
C3	1.5052	1.2878		2.2830	1.0751	2.2552	2.2552
H4	2.4665	1.0751	2.2830		3.1497	3.0900	3.0900
H5	2.4665	2.2830	1.0751	3.1497		3.0900	3.0900
H6	1.0917	2.2552	2.2552	3.0900	3.0900		1.8260
H7	1.0917	2.2552	2.2552	3.0900	3.0900	1.8260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.673	C1	C2	H4	145.340
C1	C3	C2	64.673	C1	C3	H5	145.340
C2	C1	C3	50.655	C2	C1	H6	119.707
C2	C1	H7	119.707	C2	C3	H5	149.988
C3	C1	H6	119.707	C3	C1	H7	119.707
C3	C2	H4	149.988	H6	C1	H7	113.504

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.332
2	C	-0.122
3	C	-0.122
4	H	0.171
5	H	0.171
6	H	0.117
7	H	0.117

	x	y	z	Total
	0.000	0.000	-0.552	0.552
CHELPG
AIM
ESP

<r²>	36.552
(<r²>)^1/2	6.046

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)