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	hartrees
Energy at 0K	-115.869733
Energy at 298.15K	-115.873121
HF Energy	-115.869733
Nuclear repulsion energy	64.561786

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	3461	3137	0.67	112.95	0.14	0.24
2	A₁	3180	2882	86.26	141.20	0.16	0.27
3	A₁	1853	1680	26.02	69.51	0.11	0.20
4	A₁	1642	1489	1.78	13.16	0.16	0.28
5	A₁	1236	1120	0.02	16.31	0.15	0.26
6	A₁	1007	913	3.37	5.57	0.52	0.68
7	A₂	1099	996	0.00	6.83	0.75	0.86
8	A₂	990	897	0.00	0.59	0.75	0.86
9	B₁	3237	2934	55.91	99.10	0.75	0.86
10	B₁	1198	1086	3.36	0.60	0.75	0.86
11	B₁	693	629	102.21	0.09	0.75	0.86
12	B₂	3411	3092	0.99	64.42	0.75	0.86
13	B₂	1187	1076	22.35	0.04	0.75	0.86
14	B₂	1159	1051	41.25	0.00	0.75	0.86
15	B₂	868	787	21.67	16.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.855
C2	0.000	0.636	-0.497
C3	0.000	-0.636	-0.497
H4	0.000	1.558	-1.031
H5	0.000	-1.558	-1.031
H6	0.903	0.000	1.449
H7	-0.903	0.000	1.449

	C1	C2	C3	H4	H5	H6	H7
C1		1.4941	1.4941	2.4461	2.4461	1.0803	1.0803
C2	1.4941		1.2715	1.0654	2.2575	2.2371	2.2371
C3	1.4941	1.2715		2.2575	1.0654	2.2371	2.2371
H4	2.4461	1.0654	2.2575		3.1155	3.0642	3.0642
H5	2.4461	2.2575	1.0654	3.1155		3.0642	3.0642
H6	1.0803	2.2371	2.2371	3.0642	3.0642		1.8052
H7	1.0803	2.2371	2.2371	3.0642	3.0642	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.818	C1	C2	H4	145.249
C1	C3	C2	64.818	C1	C3	H5	145.249
C2	C1	C3	50.363	C2	C1	H6	119.820
C2	C1	H7	119.820	C2	C3	H5	149.933
C3	C1	H6	119.820	C3	C1	H7	119.820
C3	C2	H4	149.933	H6	C1	H7	113.336

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/Def2TZVPP

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	-0.075
2	C	-0.144
3	C	-0.144
4	H	0.148
5	H	0.148
6	H	0.033
7	H	0.033

	x	y	z	Total
	0.000	0.000	-0.511	0.511
CHELPG
AIM
ESP

<r²>	36.481
(<r²>)^1/2	6.040

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)