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	hartrees
Energy at 0K	-116.611623
Energy at 298.15K	-116.614842
HF Energy	-116.611623
Nuclear repulsion energy	63.982151

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	3320	3169	0.07	134.96	0.15	0.26
2	A₁	3058	2919	82.06	137.37	0.17	0.29
3	A₁	1754	1674	13.61	41.40	0.17	0.30
4	A₁	1538	1468	2.41	13.91	0.26	0.41
5	A₁	1187	1133	0.62	10.61	0.19	0.32
6	A₁	927	885	5.85	5.18	0.59	0.74
7	A₂	1029	982	0.00	10.01	0.75	0.86
8	A₂	862	823	0.00	0.22	0.75	0.86
9	B₁	3123	2981	61.13	99.67	0.75	0.86
10	B₁	1125	1074	1.31	2.23	0.75	0.86
11	B₁	601	573	86.47	0.68	0.75	0.86
12	B₂	3271	3122	0.46	76.05	0.75	0.86
13	B₂	1077	1028	40.97	0.31	0.75	0.86
14	B₂	1037	990	24.58	0.02	0.75	0.86
15	B₂	813	776	19.86	16.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.858
C2	0.000	0.645	-0.499
C3	0.000	-0.645	-0.499
H4	0.000	1.576	-1.040
H5	0.000	-1.576	-1.040
H6	0.912	0.000	1.457
H7	-0.912	0.000	1.457

	C1	C2	C3	H4	H5	H6	H7
C1		1.5024	1.5024	2.4672	2.4672	1.0911	1.0911
C2	1.5024		1.2896	1.0770	2.2857	2.2523	2.2523
C3	1.5024	1.2896		2.2857	1.0770	2.2523	2.2523
H4	2.4672	1.0770	2.2857		3.1518	3.0905	3.0905
H5	2.4672	2.2857	1.0770	3.1518		3.0905	3.0905
H6	1.0911	2.2523	2.2523	3.0905	3.0905		1.8241
H7	1.0911	2.2523	2.2523	3.0905	3.0905	1.8241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.585	C1	C2	H4	145.588
C1	C3	C2	64.585	C1	C3	H5	145.588
C2	C1	C3	50.831	C2	C1	H6	119.718
C2	C1	H7	119.718	C2	C3	H5	149.827
C3	C1	H6	119.718	C3	C1	H7	119.718
C3	C2	H4	149.827	H6	C1	H7	113.423

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: mPW1PW91/6-311G*

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	-0.423
2	C	-0.201
3	C	-0.201
4	H	0.204
5	H	0.204
6	H	0.209
7	H	0.209

	x	y	z	Total
	0.000	0.000	-0.508	0.508
CHELPG
AIM
ESP

<r²>	36.745
(<r²>)^1/2	6.062

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)