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	hartrees
Energy at 0K	-116.473675
Energy at 298.15K	-116.476887
HF Energy	-116.345914
Nuclear repulsion energy	63.761323

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	3348	3178	0.05	137.34	0.13	0.23
2	A₁	3096	2939	64.97	122.37	0.15	0.26
3	A₁	1741	1653	13.60	28.60	0.21	0.35
4	A₁	1570	1491	4.34	16.88	0.29	0.45
5	A₁	1191	1130	0.80	8.32	0.17	0.30
6	A₁	949	901	3.04	9.81	0.64	0.78
7	A₂	1036	984	0.00	16.76	0.75	0.86
8	A₂	850	807	0.00	0.00	0.75	0.86
9	B₁	3160	2999	57.56	85.62	0.75	0.86
10	B₁	1139	1081	1.65	3.53	0.75	0.86
11	B₁	594	564	67.14	1.66	0.75	0.86
12	B₂	3304	3136	0.29	72.87	0.75	0.86
13	B₂	1098	1042	32.29	0.67	0.75	0.86
14	B₂	1060	1006	29.07	0.25	0.75	0.86
15	B₂	806	765	10.34	17.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.649	-0.500
C3	0.000	-0.649	-0.500
H4	0.000	1.582	-1.040
H5	0.000	-1.582	-1.040
H6	0.912	0.000	1.461
H7	-0.912	0.000	1.461

	C1	C2	C3	H4	H5	H6	H7
C1		1.5076	1.5076	2.4727	2.4727	1.0918	1.0918
C2	1.5076		1.2976	1.0778	2.2949	2.2584	2.2584
C3	1.5076	1.2976		2.2949	1.0778	2.2584	2.2584
H4	2.4727	1.0778	2.2949		3.1635	3.0968	3.0968
H5	2.4727	2.2949	1.0778	3.1635		3.0968	3.0968
H6	1.0918	2.2584	2.2584	3.0968	3.0968		1.8232
H7	1.0918	2.2584	2.2584	3.0968	3.0968	1.8232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.511	C1	C2	H4	145.538
C1	C3	C2	64.511	C1	C3	H5	145.538
C2	C1	C3	50.978	C2	C1	H6	119.786
C2	C1	H7	119.786	C2	C3	H5	149.951
C3	C1	H6	119.786	C3	C1	H7	119.786
C3	C2	H4	149.951	H6	C1	H7	113.222

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/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	-0.336
2	C	-0.132
3	C	-0.132
4	H	0.160
5	H	0.160
6	H	0.140
7	H	0.140

	x	y	z	Total
	0.000	0.000	-0.506	0.506
CHELPG
AIM
ESP

<r²>	36.847
(<r²>)^1/2	6.070

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)