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	hartrees
Energy at 0K	-116.524047
Energy at 298.15K	-116.527314
HF Energy	-116.524047
Nuclear repulsion energy	63.606851

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	3389	3232	0.04	130.30	0.12	0.21
2	A₁	3116	2971	51.04	125.00	0.15	0.27
3	A₁	1749	1668	8.92	34.48	0.20	0.33
4	A₁	1568	1495	1.69	17.10	0.32	0.48
5	A₁	1187	1132	0.46	8.79	0.20	0.33
6	A₁	949	905	5.61	8.76	0.65	0.78
7	A₂	1039	991	0.00	18.61	0.75	0.86
8	A₂	893	852	0.00	0.02	0.75	0.86
9	B₁	3191	3043	56.84	86.80	0.75	0.86
10	B₁	1137	1084	1.51	3.87	0.75	0.86
11	B₁	643	614	99.23	1.43	0.75	0.86
12	B₂	3337	3183	0.10	67.42	0.75	0.86
13	B₂	1134	1081	32.07	0.60	0.75	0.86
14	B₂	1078	1028	38.53	0.15	0.75	0.86
15	B₂	804	766	14.01	18.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.867
C2	0.000	0.650	-0.504
C3	0.000	-0.650	-0.504
H4	0.000	1.578	-1.042
H5	0.000	-1.578	-1.042
H6	0.910	0.000	1.464
H7	-0.910	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5169	1.5169	2.4768	2.4768	1.0880	1.0880
C2	1.5169		1.3009	1.0726	2.2926	2.2628	2.2628
C3	1.5169	1.3009		2.2926	1.0726	2.2628	2.2628
H4	2.4768	1.0726	2.2926		3.1558	3.0980	3.0980
H5	2.4768	2.2926	1.0726	3.1558		3.0980	3.0980
H6	1.0880	2.2628	2.2628	3.0980	3.0980		1.8193
H7	1.0880	2.2628	2.2628	3.0980	3.0980	1.8193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.607	C1	C2	H4	145.548
C1	C3	C2	64.607	C1	C3	H5	145.548
C2	C1	C3	50.785	C2	C1	H6	119.709
C2	C1	H7	119.709	C2	C3	H5	149.845
C3	C1	H6	119.709	C3	C1	H7	119.709
C3	C2	H4	149.845	H6	C1	H7	113.459

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B1B95/6-31G

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	-0.347
2	C	-0.147
3	C	-0.147
4	H	0.169
5	H	0.169
6	H	0.151
7	H	0.151

	x	y	z	Total
	0.000	0.000	-0.484	0.484
CHELPG
AIM
ESP

<r²>	36.932
(<r²>)^1/2	6.077

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)