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	hartrees
Energy at 0K	-116.395722
Energy at 298.15K	-116.398941
HF Energy	-116.302844
Nuclear repulsion energy	63.183811

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	3369	3369	0.00	137.66	0.12	0.21
2	A₁	3116	3116	47.80	121.19	0.15	0.26
3	A₁	1703	1703	12.52	26.33	0.24	0.38
4	A₁	1577	1577	1.46	19.05	0.27	0.42
5	A₁	1160	1160	0.26	7.92	0.17	0.29
6	A₁	949	949	3.93	10.77	0.60	0.75
7	A₂	1038	1038	0.00	18.82	0.75	0.86
8	A₂	856	856	0.00	0.03	0.75	0.86
9	B₁	3191	3191	56.55	83.90	0.75	0.86
10	B₁	1140	1140	1.48	4.08	0.75	0.86
11	B₁	609	609	94.31	1.53	0.75	0.86
12	B₂	3320	3320	0.01	71.96	0.75	0.86
13	B₂	1132	1132	23.89	0.59	0.75	0.86
14	B₂	1086	1086	45.43	0.69	0.75	0.86
15	B₂	759	759	9.82	18.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.876
C2	0.000	0.655	-0.508
C3	0.000	-0.655	-0.508
H4	0.000	1.582	-1.052
H5	0.000	-1.582	-1.052
H6	0.912	0.000	1.472
H7	-0.912	0.000	1.472

	C1	C2	C3	H4	H5	H6	H7
C1		1.5316	1.5316	2.4941	2.4941	1.0890	1.0890
C2	1.5316		1.3098	1.0746	2.3017	2.2763	2.2763
C3	1.5316	1.3098		2.3017	1.0746	2.2763	2.2763
H4	2.4941	1.0746	2.3017		3.1631	3.1153	3.1153
H5	2.4941	2.3017	1.0746	3.1631		3.1153	3.1153
H6	1.0890	2.2763	2.2763	3.1153	3.1153		1.8231
H7	1.0890	2.2763	2.2763	3.1153	3.1153	1.8231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.685	C1	C2	H4	145.735
C1	C3	C2	64.685	C1	C3	H5	145.735
C2	C1	C3	50.629	C2	C1	H6	119.643
C2	C1	H7	119.643	C2	C3	H5	149.579
C3	C1	H6	119.643	C3	C1	H7	119.643
C3	C2	H4	149.579	H6	C1	H7	113.658

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/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	-0.314
2	C	-0.134
3	C	-0.134
4	H	0.159
5	H	0.159
6	H	0.133
7	H	0.133

	x	y	z	Total
	0.000	0.000	-0.479	0.479
CHELPG
AIM
ESP

<r²>	37.464
(<r²>)^1/2	6.121

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)