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	hartrees
Energy at 0K	-116.553457
Energy at 298.15K	-116.556670
HF Energy	-116.393617
Nuclear repulsion energy	63.957776

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	3323	3323	0.11	146.09	0.13	0.23
2	A₁	3077	3077	65.05	144.15	0.14	0.25
3	A₁	1713	1713	17.89	45.06	0.11	0.20
4	A₁	1536	1536	1.55	13.67	0.20	0.34
5	A₁	1156	1156	0.12	14.73	0.13	0.23
6	A₁	930	930	4.28	5.06	0.54	0.71
7	A₂	1025	1025	0.00	5.99	0.75	0.86
8	A₂	866	866	0.00	0.10	0.75	0.86
9	B₁	3146	3146	38.83	93.79	0.75	0.86
10	B₁	1121	1121	1.69	0.86	0.75	0.86
11	B₁	600	600	83.45	0.44	0.75	0.86
12	B₂	3279	3279	0.39	76.35	0.75	0.86
13	B₂	1079	1079	21.59	0.27	0.75	0.86
14	B₂	1041	1041	37.71	0.05	0.75	0.86
15	B₂	789	789	14.85	14.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.861
C2	0.000	0.646	-0.500
C3	0.000	-0.646	-0.500
H4	0.000	1.573	-1.039
H5	0.000	-1.573	-1.039
H6	0.911	0.000	1.453
H7	-0.911	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5065	1.5065	2.4672	2.4672	1.0857	1.0857
C2	1.5065		1.2912	1.0730	2.2834	2.2491	2.2491
C3	1.5065	1.2912		2.2834	1.0730	2.2491	2.2491
H4	2.4672	1.0730	2.2834		3.1463	3.0845	3.0845
H5	2.4672	2.2834	1.0730	3.1463		3.0845	3.0845
H6	1.0857	2.2491	2.2491	3.0845	3.0845		1.8211
H7	1.0857	2.2491	2.2491	3.0845	3.0845	1.8211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.625	C1	C2	H4	145.556
C1	C3	C2	64.625	C1	C3	H5	145.556
C2	C1	C3	50.751	C2	C1	H6	119.482
C2	C1	H7	119.482	C2	C3	H5	149.819
C3	C1	H6	119.482	C3	C1	H7	119.482
C3	C2	H4	149.819	H6	C1	H7	113.990

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/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	-0.168
2	C	-0.152
3	C	-0.152
4	H	0.165
5	H	0.165
6	H	0.070
7	H	0.070

	x	y	z	Total
	0.000	0.000	-0.465	0.465
CHELPG
AIM
ESP

<r²>	36.974
(<r²>)^1/2	6.081

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)