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	hartrees
Energy at 0K	-115.766417
Energy at 298.15K	-115.769825
HF Energy	-115.766417
Nuclear repulsion energy	63.997774

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	3546	3202	0.85	111.28	0.11	0.20
2	A₁	3249	2934	55.05	129.16	0.16	0.28
3	A₁	1849	1669	17.19	50.55	0.22	0.36
4	A₁	1675	1512	1.73	17.39	0.26	0.41
5	A₁	1235	1115	0.25	10.69	0.22	0.36
6	A₁	1019	920	4.17	10.48	0.61	0.76
7	A₂	1117	1008	0.00	20.90	0.75	0.86
8	A₂	1000	903	0.00	0.40	0.75	0.86
9	B₁	3320	2997	65.32	91.41	0.75	0.86
10	B₁	1214	1096	4.49	3.57	0.75	0.86
11	B₁	733	662	134.76	0.85	0.75	0.86
12	B₂	3491	3152	2.03	60.96	0.75	0.86
13	B₂	1233	1113	28.92	0.21	0.75	0.86
14	B₂	1189	1073	45.03	0.10	0.75	0.86
15	B₂	843	761	19.83	21.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.868
C2	0.000	0.643	-0.504
C3	0.000	-0.643	-0.504
H4	0.000	1.560	-1.039
H5	0.000	-1.560	-1.039
H6	0.901	0.000	1.459
H7	-0.901	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5151	1.5151	2.4635	2.4635	1.0773	1.0773
C2	1.5151		1.2866	1.0614	2.2674	2.2533	2.2533
C3	1.5151	1.2866		2.2674	1.0614	2.2533	2.2533
H4	2.4635	1.0614	2.2674		3.1202	3.0795	3.0795
H5	2.4635	2.2674	1.0614	3.1202		3.0795	3.0795
H6	1.0773	2.2533	2.2533	3.0795	3.0795		1.8012
H7	1.0773	2.2533	2.2533	3.0795	3.0795	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.875	C1	C2	H4	145.385
C1	C3	C2	64.875	C1	C3	H5	145.385
C2	C1	C3	50.249	C2	C1	H6	119.789
C2	C1	H7	119.789	C2	C3	H5	149.740
C3	C1	H6	119.789	C3	C1	H7	119.789
C3	C2	H4	149.740	H6	C1	H7	113.442

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/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	-0.339
2	C	-0.201
3	C	-0.201
4	H	0.218
5	H	0.218
6	H	0.152
7	H	0.152

	x	y	z	Total
	0.000	0.000	-0.522	0.522
CHELPG
AIM
ESP

<r²>	36.891
(<r²>)^1/2	6.074

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)