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	hartrees
Energy at 0K	-116.473024
Energy at 298.15K	-116.476126
HF Energy	-116.473024
Nuclear repulsion energy	63.184365

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	3227	3227	0.04	171.38	0.12	0.22
2	A₁	2974	2974	76.10	173.65	0.12	0.21
3	A₁	1684	1684	14.14	63.84	0.06	0.11
4	A₁	1458	1458	2.18	12.42	0.21	0.34
5	A₁	1134	1134	0.64	15.90	0.11	0.20
6	A₁	888	888	4.66	4.78	0.66	0.79
7	A₂	975	975	0.00	2.18	0.75	0.86
8	A₂	778	778	0.00	0.70	0.75	0.86
9	B₁	3045	3045	45.81	124.78	0.75	0.86
10	B₁	1064	1064	1.13	0.11	0.75	0.86
11	B₁	544	544	79.28	0.18	0.75	0.86
12	B₂	3180	3180	0.01	95.04	0.75	0.86
13	B₂	1018	1018	30.87	0.11	0.75	0.86
14	B₂	979	979	23.80	0.00	0.75	0.86
15	B₂	768	768	15.96	13.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.868
C2	0.000	0.655	-0.504
C3	0.000	-0.655	-0.504
H4	0.000	1.597	-1.053
H5	0.000	-1.597	-1.053
H6	0.925	0.000	1.472
H7	-0.925	0.000	1.472

	C1	C2	C3	H4	H5	H6	H7
C1		1.5194	1.5194	2.4975	2.4975	1.1045	1.1045
C2	1.5194		1.3096	1.0905	2.3177	2.2771	2.2771
C3	1.5194	1.3096		2.3177	1.0905	2.2771	2.2771
H4	2.4975	1.0905	2.3177		3.1938	3.1269	3.1269
H5	2.4975	2.3177	1.0905	3.1938		3.1269	3.1269
H6	1.1045	2.2771	2.2771	3.1269	3.1269		1.8493
H7	1.1045	2.2771	2.2771	3.1269	3.1269	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.473	C1	C2	H4	145.764
C1	C3	C2	64.473	C1	C3	H5	145.764
C2	C1	C3	51.054	C2	C1	H6	119.574
C2	C1	H7	119.574	C2	C3	H5	149.763
C3	C1	H6	119.574	C3	C1	H7	119.574
C3	C2	H4	149.763	H6	C1	H7	113.686

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: PBEPBE/daug-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	0.290
2	C	1.375
3	C	1.375
4	H	-0.645
5	H	-0.645
6	H	-0.875
7	H	-0.875

	x	y	z	Total
	0.000	0.000	-0.463	0.463
CHELPG
AIM
ESP

<r²>	37.659
(<r²>)^1/2	6.137

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)