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	hartrees
Energy at 0K	-116.499336
Energy at 298.15K	-116.502484
HF Energy	-116.499336
Nuclear repulsion energy	63.579181

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	3228	3192	0.00	154.48	0.13	0.24
2	A₁	2975	2942	71.65	154.41	0.16	0.27
3	A₁	1692	1673	13.51	47.26	0.11	0.21
4	A₁	1478	1461	2.54	14.17	0.26	0.42
5	A₁	1134	1121	0.87	12.90	0.15	0.27
6	A₁	895	885	5.89	4.81	0.56	0.71
7	A₂	989	978	0.00	9.50	0.75	0.86
8	A₂	827	818	0.00	0.04	0.75	0.86
9	B₁	3039	3005	45.15	105.43	0.75	0.86
10	B₁	1081	1069	1.23	1.10	0.75	0.86
11	B₁	579	572	82.32	1.07	0.75	0.86
12	B₂	3184	3148	0.02	84.45	0.75	0.86
13	B₂	1037	1025	32.88	2.10	0.75	0.86
14	B₂	992	981	32.31	0.03	0.75	0.86
15	B₂	772	763	16.89	16.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
C2	0.000	0.649	-0.501
C3	0.000	-0.649	-0.501
H4	0.000	1.587	-1.046
H5	0.000	-1.587	-1.046
H6	0.919	0.000	1.464
H7	-0.919	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5114	1.5114	2.4824	2.4824	1.0981	1.0981
C2	1.5114		1.2986	1.0841	2.3015	2.2649	2.2649
C3	1.5114	1.2986		2.3015	1.0841	2.2649	2.2649
H4	2.4824	1.0841	2.3015		3.1738	3.1084	3.1084
H5	2.4824	2.3015	1.0841	3.1738		3.1084	3.1084
H6	1.0981	2.2649	2.2649	3.1084	3.1084		1.8385
H7	1.0981	2.2649	2.2649	3.1084	3.1084	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.557	C1	C2	H4	145.575
C1	C3	C2	64.557	C1	C3	H5	145.575
C2	C1	C3	50.886	C2	C1	H6	119.602
C2	C1	H7	119.602	C2	C3	H5	149.868
C3	C1	H6	119.602	C3	C1	H7	119.602
C3	C2	H4	149.868	H6	C1	H7	113.672

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: PBEPBE/TZVP

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	-0.278
2	C	-0.120
3	C	-0.120
4	H	0.136
5	H	0.136
6	H	0.123
7	H	0.123

	x	y	z	Total
	0.000	0.000	-0.475	0.475
CHELPG
AIM
ESP

<r²>	37.254
(<r²>)^1/2	6.104

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)