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	hartrees
Energy at 0K	-116.587934
Energy at 298.15K	-116.591129
HF Energy	-116.587934
Nuclear repulsion energy	63.600063

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	3329	3187	0.18	136.46	0.13	0.22
2	A₁	3066	2935	69.94	143.04	0.12	0.22
3	A₁	1748	1674	17.63	66.00	0.07	0.13
4	A₁	1513	1449	1.16	9.23	0.19	0.32
5	A₁	1158	1109	0.08	17.82	0.11	0.21
6	A₁	917	878	4.87	4.50	0.55	0.71
7	A₂	1010	967	0.00	2.48	0.75	0.86
8	A₂	840	804	0.00	1.27	0.75	0.86
9	B₁	3141	3007	40.93	102.02	0.75	0.86
10	B₁	1103	1056	1.49	0.14	0.75	0.86
11	B₁	578	554	91.69	0.02	0.75	0.86
12	B₂	3281	3141	0.57	73.90	0.75	0.86
13	B₂	1066	1021	31.38	0.46	0.75	0.86
14	B₂	1037	993	25.26	0.11	0.75	0.86
15	B₂	802	768	20.17	13.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.865
C2	0.000	0.648	-0.502
C3	0.000	-0.648	-0.502
H4	0.000	1.583	-1.048
H5	0.000	-1.583	-1.048
H6	0.919	0.000	1.464
H7	-0.919	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5132	1.5132	2.4834	2.4834	1.0964	1.0964
C2	1.5132		1.2962	1.0826	2.2967	2.2644	2.2644
C3	1.5132	1.2962		2.2967	1.0826	2.2644	2.2644
H4	2.4834	1.0826	2.2967		3.1655	3.1078	3.1078
H5	2.4834	2.2967	1.0826	3.1655		3.1078	3.1078
H6	1.0964	2.2644	2.2644	3.1078	3.1078		1.8378
H7	1.0964	2.2644	2.2644	3.1078	3.1078	1.8378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.642	C1	C2	H4	145.664
C1	C3	C2	64.642	C1	C3	H5	145.664
C2	C1	C3	50.717	C2	C1	H6	119.533
C2	C1	H7	119.533	C2	C3	H5	149.694
C3	C1	H6	119.533	C3	C1	H7	119.533
C3	C2	H4	149.694	H6	C1	H7	113.884

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.691
2	C	0.392
3	C	0.392
4	H	-0.351
5	H	-0.351
6	H	-0.386
7	H	-0.386

	x	y	z	Total
	0.000	0.000	-0.482	0.482
CHELPG
AIM
ESP

<r²>	37.164
(<r²>)^1/2	6.096

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)