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	hartrees
Energy at 0K	-116.632735
Energy at 298.15K	-116.635901
HF Energy	-116.632735
Nuclear repulsion energy	63.516791

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	3297	3297	0.03	154.25	0.13	0.23
2	A₁	3039	3039	75.75	161.74	0.12	0.22
3	A₁	1727	1727	17.26	66.14	0.06	0.12
4	A₁	1508	1508	1.94	11.90	0.19	0.32
5	A₁	1149	1149	0.24	16.38	0.12	0.21
6	A₁	916	916	3.82	5.21	0.61	0.76
7	A₂	1002	1002	0.00	2.32	0.75	0.86
8	A₂	819	819	0.00	1.13	0.75	0.86
9	B₁	3109	3109	45.44	115.75	0.75	0.86
10	B₁	1097	1097	1.36	0.03	0.75	0.86
11	B₁	566	566	84.20	0.06	0.75	0.86
12	B₂	3249	3249	0.15	86.14	0.75	0.86
13	B₂	1056	1056	26.60	0.17	0.75	0.86
14	B₂	1021	1021	31.26	0.00	0.75	0.86
15	B₂	777	777	15.29	13.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.866
C2	0.000	0.650	-0.503
C3	0.000	-0.650	-0.503
H4	0.000	1.584	-1.049
H5	0.000	-1.584	-1.049
H6	0.918	0.000	1.466
H7	-0.918	0.000	1.466

	C1	C2	C3	H4	H5	H6	H7
C1		1.5153	1.5153	2.4855	2.4855	1.0965	1.0965
C2	1.5153		1.2993	1.0825	2.2997	2.2675	2.2675
C3	1.5153	1.2993		2.2997	1.0825	2.2675	2.2675
H4	2.4855	1.0825	2.2997		3.1686	3.1110	3.1110
H5	2.4855	2.2997	1.0825	3.1686		3.1110	3.1110
H6	1.0965	2.2675	2.2675	3.1110	3.1110		1.8354
H7	1.0965	2.2675	2.2675	3.1110	3.1110	1.8354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.614	C1	C2	H4	145.685
C1	C3	C2	64.614	C1	C3	H5	145.685
C2	C1	C3	50.773	C2	C1	H6	119.634
C2	C1	H7	119.634	C2	C3	H5	149.701
C3	C1	H6	119.634	C3	C1	H7	119.634
C3	C2	H4	149.701	H6	C1	H7	113.635

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/daug-cc-pVDZ

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	0.401
2	C	1.535
3	C	1.535
4	H	-0.748
5	H	-0.748
6	H	-0.987
7	H	-0.987

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

<r²>	37.403
(<r²>)^1/2	6.116

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)