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	hartrees
Energy at 0K	-116.559256
Energy at 298.15K	-116.562491
HF Energy	-116.559256
Nuclear repulsion energy	64.024435

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	3349	3179	0.02	133.16	0.13	0.23
2	A₁	3082	2926	70.58	127.29	0.15	0.26
3	A₁	1776	1686	10.84	34.83	0.19	0.32
4	A₁	1555	1477	4.86	15.91	0.33	0.50
5	A₁	1210	1148	1.03	8.86	0.19	0.33
6	A₁	940	892	3.85	8.65	0.67	0.80
7	A₂	1033	980	0.00	16.73	0.75	0.86
8	A₂	870	826	0.00	0.01	0.75	0.86
9	B₁	3145	2986	59.11	89.52	0.75	0.86
10	B₁	1131	1074	1.64	3.39	0.75	0.86
11	B₁	614	583	68.20	1.60	0.75	0.86
12	B₂	3302	3135	0.22	70.73	0.75	0.86
13	B₂	1095	1040	39.71	0.44	0.75	0.86
14	B₂	1050	996	18.84	0.00	0.75	0.86
15	B₂	833	791	15.26	18.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.854
C2	0.000	0.646	-0.497
C3	0.000	-0.646	-0.497
H4	0.000	1.580	-1.035
H5	0.000	-1.580	-1.035
H6	0.911	0.000	1.457
H7	-0.911	0.000	1.457

	C1	C2	C3	H4	H5	H6	H7
C1		1.4982	1.4982	2.4630	2.4630	1.0922	1.0922
C2	1.4982		1.2917	1.0776	2.2895	2.2508	2.2508
C3	1.4982	1.2917		2.2895	1.0776	2.2508	2.2508
H4	2.4630	1.0776	2.2895		3.1591	3.0880	3.0880
H5	2.4630	2.2895	1.0776	3.1591		3.0880	3.0880
H6	1.0922	2.2508	2.2508	3.0880	3.0880		1.8222
H7	1.0922	2.2508	2.2508	3.0880	3.0880	1.8222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.465	C1	C2	H4	145.482
C1	C3	C2	64.465	C1	C3	H5	145.482
C2	C1	C3	51.071	C2	C1	H6	119.844
C2	C1	H7	119.844	C2	C3	H5	150.053
C3	C1	H6	119.844	C3	C1	H7	119.844
C3	C2	H4	150.053	H6	C1	H7	113.058

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B1B95/6-31G*

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	-0.357
2	C	-0.136
3	C	-0.136
4	H	0.165
5	H	0.165
6	H	0.150
7	H	0.150

	x	y	z	Total
	0.000	0.000	-0.525	0.525
CHELPG
AIM
ESP

<r²>	36.515
(<r²>)^1/2	6.043

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)