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	hartrees
Energy at 0K	-115.867207
Energy at 298.15K	-115.870589
HF Energy	-115.867207
Nuclear repulsion energy	64.550777

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	3457	3127	0.73	111.29	0.14	0.24
2	A₁	3178	2874	86.49	141.22	0.13	0.23
3	A₁	1850	1673	27.09	84.57	0.06	0.12
4	A₁	1641	1485	1.48	12.50	0.12	0.21
5	A₁	1235	1118	0.04	17.46	0.12	0.22
6	A₁	1008	912	3.14	5.57	0.53	0.70
7	A₂	1098	994	0.00	3.50	0.75	0.86
8	A₂	987	893	0.00	2.28	0.75	0.86
9	B₁	3234	2926	53.07	103.32	0.75	0.86
10	B₁	1195	1081	2.94	0.10	0.75	0.86
11	B₁	690	625	101.38	0.02	0.75	0.86
12	B₂	3406	3081	1.09	65.58	0.75	0.86
13	B₂	1185	1072	20.21	0.55	0.75	0.86
14	B₂	1159	1048	42.57	0.08	0.75	0.86
15	B₂	867	784	21.14	13.69	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		1.4945	1.4945	2.4464	2.4464	1.0803	1.0803
C2	1.4945		1.2718	1.0653	2.2578	2.2373	2.2373
C3	1.4945	1.2718		2.2578	1.0653	2.2373	2.2373
H4	2.4464	1.0653	2.2578		3.1159	3.0643	3.0643
H5	2.4464	2.2578	1.0653	3.1159		3.0643	3.0643
H6	1.0803	2.2373	2.2373	3.0643	3.0643		1.8055
H7	1.0803	2.2373	2.2373	3.0643	3.0643	1.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.819	C1	C2	H4	145.242
C1	C3	C2	64.819	C1	C3	H5	145.242
C2	C1	C3	50.362	C2	C1	H6	119.803
C2	C1	H7	119.803	C2	C3	H5	149.939
C3	C1	H6	119.803	C3	C1	H7	119.803
C3	C2	H4	149.939	H6	C1	H7	113.373

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/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	-1.294
2	C	-0.759
3	C	-0.759
4	H	0.956
5	H	0.956
6	H	0.450
7	H	0.450

	x	y	z	Total
	0.000	0.000	-0.505	0.505
CHELPG
AIM
ESP

<r²>	36.499
(<r²>)^1/2	6.041

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)