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	hartrees
Energy at 0K	-116.549374
Energy at 298.15K	-116.552605
HF Energy	-116.549374
Nuclear repulsion energy	62.943228

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	3389	3389	0.01	116.77	0.12	0.21
2	A₁	3122	3122	65.83	126.84	0.16	0.28
3	A₁	1713	1713	15.77	54.04	0.15	0.27
4	A₁	1541	1541	0.02	11.66	0.34	0.51
5	A₁	1152	1152	0.05	20.73	0.19	0.32
6	A₁	940	940	10.72	6.85	0.62	0.77
7	A₂	1021	1021	0.00	14.78	0.75	0.86
8	A₂	890	890	0.00	1.97	0.75	0.86
9	B₁	3216	3216	57.69	67.71	0.75	0.86
10	B₁	1108	1108	0.85	1.96	0.75	0.86
11	B₁	644	644	138.63	0.23	0.75	0.86
12	B₂	3334	3334	0.69	61.87	0.75	0.86
13	B₂	1118	1118	42.79	0.20	0.75	0.86
14	B₂	1067	1067	45.58	0.05	0.75	0.86
15	B₂	767	767	20.22	19.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.883
C2	0.000	0.657	-0.512
C3	0.000	-0.657	-0.512
H4	0.000	1.584	-1.054
H5	0.000	-1.584	-1.054
H6	0.915	0.000	1.474
H7	-0.915	0.000	1.474

	C1	C2	C3	H4	H5	H6	H7
C1		1.5418	1.5418	2.5030	2.5030	1.0892	1.0892
C2	1.5418		1.3134	1.0749	2.3059	2.2830	2.2830
C3	1.5418	1.3134		2.3059	1.0749	2.2830	2.2830
H4	2.5030	1.0749	2.3059		3.1688	3.1212	3.1212
H5	2.5030	2.3059	1.0749	3.1688		3.1212	3.1212
H6	1.0892	2.2830	2.2830	3.1212	3.1212		1.8299
H7	1.0892	2.2830	2.2830	3.1212	3.1212	1.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.789	C1	C2	H4	145.546
C1	C3	C2	64.789	C1	C3	H5	145.546
C2	C1	C3	50.421	C2	C1	H6	119.399
C2	C1	H7	119.399	C2	C3	H5	149.665
C3	C1	H6	119.399	C3	C1	H7	119.399
C3	C2	H4	149.665	H6	C1	H7	114.282

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/SDD

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	-0.431
2	C	-0.236
3	C	-0.236
4	H	0.246
5	H	0.246
6	H	0.205
7	H	0.205

	x	y	z	Total
	0.000	0.000	-0.360	0.360
CHELPG
AIM
ESP

<r²>	37.485
(<r²>)^1/2	6.122

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)