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	hartrees
Energy at 0K	-116.540944
Energy at 298.15K	-116.544204
HF Energy	-116.540944
Nuclear repulsion energy	63.408512

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	3384	3384	0.09	124.63	0.12	0.21
2	A₁	3111	3111	49.63	124.36	0.16	0.27
3	A₁	1746	1746	10.51	35.85	0.21	0.35
4	A₁	1568	1568	1.32	16.65	0.30	0.47
5	A₁	1170	1170	0.14	8.96	0.21	0.34
6	A₁	946	946	5.72	8.90	0.63	0.77
7	A₂	1036	1036	0.00	19.16	0.75	0.86
8	A₂	900	900	0.00	0.07	0.75	0.86
9	B₁	3187	3187	55.31	86.99	0.75	0.86
10	B₁	1135	1135	1.83	3.81	0.75	0.86
11	B₁	643	643	108.12	1.30	0.75	0.86
12	B₂	3332	3332	0.22	65.90	0.75	0.86
13	B₂	1131	1131	30.68	0.47	0.75	0.86
14	B₂	1081	1081	43.19	0.17	0.75	0.86
15	B₂	784	784	14.41	19.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.873
C2	0.000	0.651	-0.507
C3	0.000	-0.651	-0.507
H4	0.000	1.577	-1.048
H5	0.000	-1.577	-1.048
H6	0.912	0.000	1.469
H7	-0.912	0.000	1.469

	C1	C2	C3	H4	H5	H6	H7
C1		1.5259	1.5259	2.4863	2.4863	1.0895	1.0895
C2	1.5259		1.3012	1.0735	2.2929	2.2715	2.2715
C3	1.5259	1.3012		2.2929	1.0735	2.2715	2.2715
H4	2.4863	1.0735	2.2929		3.1549	3.1078	3.1078
H5	2.4863	2.2929	1.0735	3.1549		3.1078	3.1078
H6	1.0895	2.2715	2.2715	3.1078	3.1078		1.8246
H7	1.0895	2.2715	2.2715	3.1078	3.1078	1.8246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.763	C1	C2	H4	145.536
C1	C3	C2	64.763	C1	C3	H5	145.536
C2	C1	C3	50.475	C2	C1	H6	119.638
C2	C1	H7	119.638	C2	C3	H5	149.702
C3	C1	H6	119.638	C3	C1	H7	119.638
C3	C2	H4	149.702	H6	C1	H7	113.719

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/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	-0.350
2	C	-0.160
3	C	-0.160
4	H	0.183
5	H	0.183
6	H	0.153
7	H	0.153

	x	y	z	Total
	0.000	0.000	-0.488	0.488
CHELPG
AIM
ESP

<r²>	37.089
(<r²>)^1/2	6.090

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)