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	hartrees
Energy at 0K	-115.864143
Energy at 298.15K	-115.867535
HF Energy	-115.864143
Nuclear repulsion energy	64.552281

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	3458	3142	0.84	109.33	0.15	0.26
2	A₁	3175	2885	84.24	123.56	0.15	0.26
3	A₁	1849	1680	26.99	80.22	0.07	0.14
4	A₁	1642	1492	1.18	10.92	0.14	0.25
5	A₁	1237	1124	0.04	18.95	0.13	0.23
6	A₁	1009	917	3.29	5.71	0.51	0.68
7	A₂	1100	999	0.00	3.70	0.75	0.86
8	A₂	987	897	0.00	2.07	0.75	0.86
9	B₁	3232	2936	51.78	102.55	0.75	0.86
10	B₁	1197	1087	2.84	0.10	0.75	0.86
11	B₁	691	628	102.77	0.05	0.75	0.86
12	B₂	3408	3096	1.23	64.44	0.75	0.86
13	B₂	1188	1079	20.87	0.50	0.75	0.86
14	B₂	1161	1055	43.17	0.11	0.75	0.86
15	B₂	869	789	21.10	14.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.855
C2	0.000	0.636	-0.497
C3	0.000	-0.636	-0.497
H4	0.000	1.558	-1.031
H5	0.000	-1.558	-1.031
H6	0.903	0.000	1.449
H7	-0.903	0.000	1.449

	C1	C2	C3	H4	H5	H6	H7
C1		1.4943	1.4943	2.4464	2.4464	1.0806	1.0806
C2	1.4943		1.2715	1.0656	2.2578	2.2376	2.2376
C3	1.4943	1.2715		2.2578	1.0656	2.2376	2.2376
H4	2.4464	1.0656	2.2578		3.1161	3.0647	3.0647
H5	2.4464	2.2578	1.0656	3.1161		3.0647	3.0647
H6	1.0806	2.2376	2.2376	3.0647	3.0647		1.8056
H7	1.0806	2.2376	2.2376	3.0647	3.0647	1.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.821	C1	C2	H4	145.235
C1	C3	C2	64.821	C1	C3	H5	145.235
C2	C1	C3	50.358	C2	C1	H6	119.825
C2	C1	H7	119.825	C2	C3	H5	149.944
C3	C1	H6	119.825	C3	C1	H7	119.825
C3	C2	H4	149.944	H6	C1	H7	113.325

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.366
2	C	-0.114
3	C	-0.114
4	H	0.195
5	H	0.195
6	H	0.102
7	H	0.102

	x	y	z	Total
	0.000	0.000	-0.501	0.501
CHELPG
AIM
ESP

<r²>	36.502
(<r²>)^1/2	6.042

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)