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	hartrees
Energy at 0K	-116.595608
Energy at 298.15K	-116.598862
HF Energy	-116.595608
Nuclear repulsion energy	64.011620

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	3340	3340	0.80	126.88	0.14	0.25
2	A₁	3084	3084	57.18	133.82	0.16	0.27
3	A₁	1767	1767	13.09	43.45	0.16	0.28
4	A₁	1529	1529	1.72	11.52	0.28	0.44
5	A₁	1186	1186	0.23	11.96	0.19	0.33
6	A₁	928	928	5.80	5.16	0.61	0.76
7	A₂	1023	1023	0.00	8.83	0.75	0.86
8	A₂	894	894	0.00	0.07	0.75	0.86
9	B₁	3155	3155	40.83	89.79	0.75	0.86
10	B₁	1118	1118	1.81	2.00	0.75	0.86
11	B₁	623	623	86.95	0.76	0.75	0.86
12	B₂	3291	3291	1.95	67.48	0.75	0.86
13	B₂	1076	1076	36.83	0.04	0.75	0.86
14	B₂	1040	1040	24.58	0.14	0.75	0.86
15	B₂	835	835	20.81	16.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.644	-0.499
C3	0.000	-0.644	-0.499
H4	0.000	1.576	-1.036
H5	0.000	-1.576	-1.036
H6	0.913	0.000	1.453
H7	-0.913	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5038	1.5038	2.4652	2.4652	1.0886	1.0886
C2	1.5038		1.2880	1.0756	2.2841	2.2489	2.2489
C3	1.5038	1.2880		2.2841	1.0756	2.2489	2.2489
H4	2.4652	1.0756	2.2841		3.1524	3.0838	3.0838
H5	2.4652	2.2841	1.0756	3.1524		3.0838	3.0838
H6	1.0886	2.2489	2.2489	3.0838	3.0838		1.8260
H7	1.0886	2.2489	2.2489	3.0838	3.0838	1.8260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.642	C1	C2	H4	145.284
C1	C3	C2	64.642	C1	C3	H5	145.284
C2	C1	C3	50.715	C2	C1	H6	119.483
C2	C1	H7	119.483	C2	C3	H5	150.074
C3	C1	H6	119.483	C3	C1	H7	119.483
C3	C2	H4	150.074	H6	C1	H7	114.000

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: M06-2X/6-311G**

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	-0.264
2	C	-0.128
3	C	-0.128
4	H	0.124
5	H	0.124
6	H	0.135
7	H	0.135

	x	y	z	Total
	0.000	0.000	-0.493	0.493
CHELPG
AIM
ESP

<r²>	36.791
(<r²>)^1/2	6.066

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)