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	hartrees
Energy at 0K	-116.553670
Energy at 298.15K	-116.556874
HF Energy	-116.391180
Nuclear repulsion energy	63.942954

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	3314	3314	0.10	150.40	0.12	0.22
2	A₁	3072	3072	64.88	152.20	0.11	0.21
3	A₁	1709	1709	18.57	57.58	0.06	0.12
4	A₁	1532	1532	1.34	12.57	0.15	0.27
5	A₁	1154	1154	0.06	17.19	0.10	0.19
6	A₁	930	930	4.07	4.89	0.57	0.73
7	A₂	1023	1023	0.00	2.00	0.75	0.86
8	A₂	862	862	0.00	1.08	0.75	0.86
9	B₁	3140	3140	37.21	102.65	0.75	0.86
10	B₁	1115	1115	1.53	0.12	0.75	0.86
11	B₁	598	598	82.91	0.05	0.75	0.86
12	B₂	3270	3270	0.43	80.25	0.75	0.86
13	B₂	1074	1074	17.14	0.27	0.75	0.86
14	B₂	1040	1040	40.75	0.01	0.75	0.86
15	B₂	787	787	14.50	12.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.646	-0.500
C3	0.000	-0.646	-0.500
H4	0.000	1.574	-1.039
H5	0.000	-1.574	-1.039
H6	0.911	0.000	1.453
H7	-0.911	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5072	1.5072	2.4677	2.4677	1.0858	1.0858
C2	1.5072		1.2913	1.0731	2.2837	2.2494	2.2494
C3	1.5072	1.2913		2.2837	1.0731	2.2494	2.2494
H4	2.4677	1.0731	2.2837		3.1471	3.0846	3.0846
H5	2.4677	2.2837	1.0731	3.1471		3.0846	3.0846
H6	1.0858	2.2494	2.2494	3.0846	3.0846		1.8220
H7	1.0858	2.2494	2.2494	3.0846	3.0846	1.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.635	C1	C2	H4	145.514
C1	C3	C2	64.635	C1	C3	H5	145.514
C2	C1	C3	50.729	C2	C1	H6	119.451
C2	C1	H7	119.451	C2	C3	H5	149.851
C3	C1	H6	119.451	C3	C1	H7	119.451
C3	C2	H4	149.851	H6	C1	H7	114.069

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/daug-cc-pVTZ

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	-1.075
2	C	-0.599
3	C	-0.599
4	H	0.832
5	H	0.832
6	H	0.304
7	H	0.304

	x	y	z	Total
	0.000	0.000	-0.457	0.457
CHELPG
AIM
ESP

<r²>	37.012
(<r²>)^1/2	6.084

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)