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	hartrees
Energy at 0K	-116.556559
Energy at 298.15K	-116.559681
HF Energy	-116.556559
Nuclear repulsion energy	63.209823

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	3218	3192	1.27	153.43	0.13	0.24
2	A₁	2968	2943	75.69	129.42	0.15	0.26
3	A₁	1694	1680	12.07	30.20	0.20	0.34
4	A₁	1511	1499	5.59	18.41	0.31	0.48
5	A₁	1132	1123	1.62	7.93	0.17	0.28
6	A₁	906	899	2.12	11.47	0.65	0.79
7	A₂	993	985	0.00	17.98	0.75	0.86
8	A₂	818	812	0.00	0.05	0.75	0.86
9	B₁	3022	2998	67.36	92.51	0.75	0.86
10	B₁	1094	1085	1.32	3.98	0.75	0.86
11	B₁	575	571	54.74	2.14	0.75	0.86
12	B₂	3174	3149	3.51	84.74	0.75	0.86
13	B₂	1042	1034	34.87	1.16	0.75	0.86
14	B₂	1001	993	25.34	0.51	0.75	0.86
15	B₂	755	749	7.56	18.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.870
C2	0.000	0.653	-0.506
C3	0.000	-0.653	-0.506
H4	0.000	1.593	-1.052
H5	0.000	-1.593	-1.052
H6	0.920	0.000	1.477
H7	-0.920	0.000	1.477

	C1	C2	C3	H4	H5	H6	H7
C1		1.5223	1.5223	2.4962	2.4962	1.1023	1.1023
C2	1.5223		1.3056	1.0874	2.3111	2.2812	2.2812
C3	1.5223	1.3056		2.3111	1.0874	2.2812	2.2812
H4	2.4962	1.0874	2.3111		3.1854	3.1276	3.1276
H5	2.4962	2.3111	1.0874	3.1854		3.1276	3.1276
H6	1.1023	2.2812	2.2812	3.1276	3.1276		1.8392
H7	1.1023	2.2812	2.2812	3.1276	3.1276	1.8392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.607	C1	C2	H4	145.582
C1	C3	C2	64.607	C1	C3	H5	145.582
C2	C1	C3	50.786	C2	C1	H6	119.873
C2	C1	H7	119.873	C2	C3	H5	149.811
C3	C1	H6	119.873	C3	C1	H7	119.873
C3	C2	H4	149.811	H6	C1	H7	113.081

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: BLYP/6-31G*

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	-0.297
2	C	-0.086
3	C	-0.086
4	H	0.116
5	H	0.116
6	H	0.118
7	H	0.118

	x	y	z	Total
	0.000	0.000	-0.509	0.509
CHELPG
AIM
ESP

<r²>	37.312
(<r²>)^1/2	6.108

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)