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	hartrees
Energy at 0K	-115.830527
Energy at 298.15K	-115.833921
HF Energy	-115.830527
Nuclear repulsion energy	64.434769

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	3490	3150	0.25	111.05	0.12	0.22
2	A₁	3199	2887	84.29	129.38	0.16	0.28
3	A₁	1884	1700	18.94	50.14	0.20	0.34
4	A₁	1659	1497	5.50	15.32	0.27	0.43
5	A₁	1263	1140	0.02	10.82	0.21	0.34
6	A₁	1019	920	2.13	9.29	0.64	0.78
7	A₂	1106	999	0.00	16.70	0.75	0.86
8	A₂	977	882	0.00	0.08	0.75	0.86
9	B₁	3258	2940	76.55	92.79	0.75	0.86
10	B₁	1209	1091	4.21	2.84	0.75	0.86
11	B₁	697	629	86.60	1.03	0.75	0.86
12	B₂	3439	3104	0.23	62.19	0.75	0.86
13	B₂	1197	1081	31.24	0.13	0.75	0.86
14	B₂	1167	1053	31.15	0.03	0.75	0.86
15	B₂	884	798	17.12	20.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.854
C2	0.000	0.638	-0.498
C3	0.000	-0.638	-0.498
H4	0.000	1.564	-1.030
H5	0.000	-1.564	-1.030
H6	0.903	0.000	1.453
H7	-0.903	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.4951	1.4951	2.4485	2.4485	1.0834	1.0834
C2	1.4951		1.2762	1.0675	2.2650	2.2420	2.2420
C3	1.4951	1.2762		2.2650	1.0675	2.2420	2.2420
H4	2.4485	1.0675	2.2650		3.1271	3.0697	3.0697
H5	2.4485	2.2650	1.0675	3.1271		3.0697	3.0697
H6	1.0834	2.2420	2.2420	3.0697	3.0697		1.8066
H7	1.0834	2.2420	2.2420	3.0697	3.0697	1.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.736	C1	C2	H4	145.165
C1	C3	C2	64.736	C1	C3	H5	145.165
C2	C1	C3	50.528	C2	C1	H6	119.952
C2	C1	H7	119.952	C2	C3	H5	150.099
C3	C1	H6	119.952	C3	C1	H7	119.952
C3	C2	H4	150.099	H6	C1	H7	112.981

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/6-31G**

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	-0.242
2	C	-0.141
3	C	-0.141
4	H	0.158
5	H	0.158
6	H	0.104
7	H	0.104

	x	y	z	Total
	0.000	0.000	-0.557	0.557
CHELPG
AIM
ESP

<r²>	36.407
(<r²>)^1/2	6.034

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)