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	hartrees
Energy at 0K	-116.594127
Energy at 298.15K	-116.597293
HF Energy	-116.594127
Nuclear repulsion energy	63.838259

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	3235	3235	0.43	164.05	0.14	0.24
2	A₁	2977	2977	86.69	162.37	0.13	0.24
3	A₁	1697	1697	15.50	50.31	0.11	0.19
4	A₁	1497	1497	3.03	15.08	0.21	0.34
5	A₁	1134	1134	0.92	14.21	0.12	0.21
6	A₁	903	903	3.92	4.91	0.62	0.76
7	A₂	999	999	0.00	4.62	0.75	0.86
8	A₂	834	834	0.00	0.15	0.75	0.86
9	B₁	3036	3036	54.70	115.40	0.75	0.86
10	B₁	1097	1097	1.60	0.55	0.75	0.86
11	B₁	577	577	72.83	0.50	0.75	0.86
12	B₂	3191	3191	0.84	89.57	0.75	0.86
13	B₂	1048	1048	26.26	0.02	0.75	0.86
14	B₂	1008	1008	30.09	0.00	0.75	0.86
15	B₂	789	789	15.19	14.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.647	-0.500
C3	0.000	-0.647	-0.500
H4	0.000	1.580	-1.041
H5	0.000	-1.580	-1.041
H6	0.914	0.000	1.459
H7	-0.914	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5055	1.5055	2.4715	2.4715	1.0931	1.0931
C2	1.5055		1.2939	1.0787	2.2918	2.2560	2.2560
C3	1.5055	1.2939		2.2918	1.0787	2.2560	2.2560
H4	2.4715	1.0787	2.2918		3.1602	3.0951	3.0951
H5	2.4715	2.2918	1.0787	3.1602		3.0951	3.0951
H6	1.0931	2.2560	2.2560	3.0951	3.0951		1.8289
H7	1.0931	2.2560	2.2560	3.0951	3.0951	1.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.550	C1	C2	H4	145.554
C1	C3	C2	64.550	C1	C3	H5	145.554
C2	C1	C3	50.899	C2	C1	H6	119.650
C2	C1	H7	119.650	C2	C3	H5	149.896
C3	C1	H6	119.650	C3	C1	H7	119.650
C3	C2	H4	149.896	H6	C1	H7	113.558

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B97D3/cc-pVQZ

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	-0.116
2	C	-0.199
3	C	-0.199
4	H	0.169
5	H	0.169
6	H	0.088
7	H	0.088

	x	y	z	Total
	0.000	0.000	-0.477	0.477
CHELPG
AIM
ESP

<r²>	36.996
(<r²>)^1/2	6.082

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B97D3/cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)