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	hartrees
Energy at 0K	-18.687271
Energy at 298.15K	-18.690647
HF Energy	-18.687271
Nuclear repulsion energy	34.177958

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	3467	3133	0.00	114.23	0.16	0.27
2	A₁	3194	2886	98.22	143.95	0.19	0.31
3	A₁	1837	1660	28.34	68.76	0.15	0.27
4	A₁	1644	1485	4.15	16.13	0.17	0.29
5	A₁	1237	1118	0.05	15.48	0.17	0.29
6	A₁	1008	910	2.59	6.75	0.52	0.69
7	A₂	1095	989	0.00	11.51	0.75	0.86
8	A₂	968	875	0.00	0.93	0.75	0.86
9	B₁	3260	2945	82.51	106.04	0.75	0.86
10	B₁	1189	1074	3.38	2.13	0.75	0.86
11	B₁	693	626	121.30	0.29	0.75	0.86
12	B₂	3418	3088	0.02	69.92	0.75	0.86
13	B₂	1174	1060	37.65	0.62	0.75	0.86
14	B₂	1147	1036	24.99	0.02	0.75	0.86
15	B₂	871	787	22.61	19.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.642	-0.501
C3	0.000	-0.642	-0.501
H4	0.000	1.570	-1.036
H5	0.000	-1.570	-1.036
H6	0.906	0.000	1.458
H7	-0.906	0.000	1.458

	C1	C2	C3	H4	H5	H6	H7
C1		1.5064	1.5064	2.4628	2.4628	1.0852	1.0852
C2	1.5064		1.2830	1.0715	2.2754	2.2524	2.2524
C3	1.5064	1.2830		2.2754	1.0715	2.2524	2.2524
H4	2.4628	1.0715	2.2754		3.1406	3.0833	3.0833
H5	2.4628	2.2754	1.0715	3.1406		3.0833	3.0833
H6	1.0852	2.2524	2.2524	3.0833	3.0833		1.8128
H7	1.0852	2.2524	2.2524	3.0833	3.0833	1.8128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.795	C1	C2	H4	145.111
C1	C3	C2	64.795	C1	C3	H5	145.111
C2	C1	C3	50.410	C2	C1	H6	119.834
C2	C1	H7	119.834	C2	C3	H5	150.094
C3	C1	H6	119.834	C3	C1	H7	119.834
C3	C2	H4	150.094	H6	C1	H7	113.288

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/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	-0.354
2	C	-0.206
3	C	-0.206
4	H	0.237
5	H	0.237
6	H	0.145
7	H	0.145

	x	y	z	Total
	0.000	0.000	-0.486	0.486
CHELPG
AIM
ESP

<r²>	32.647
(<r²>)^1/2	5.714

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)