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	hartrees
Energy at 0K	-116.585419
Energy at 298.15K	-116.588519
HF Energy	-116.585419
Nuclear repulsion energy	63.319588

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	3193	3185	1.33	166.27	0.15	0.27
2	A₁	2950	2943	87.83	148.10	0.17	0.28
3	A₁	1678	1674	14.11	36.27	0.19	0.32
4	A₁	1493	1489	3.19	16.67	0.24	0.39
5	A₁	1113	1111	1.16	9.76	0.18	0.30
6	A₁	889	886	4.17	7.00	0.58	0.73
7	A₂	989	986	0.00	10.77	0.75	0.86
8	A₂	806	804	0.00	0.02	0.75	0.86
9	B₁	3009	3001	69.77	110.58	0.75	0.86
10	B₁	1088	1085	1.18	2.61	0.75	0.86
11	B₁	558	556	74.54	1.14	0.75	0.86
12	B₂	3147	3139	4.12	97.09	0.75	0.86
13	B₂	1024	1022	36.15	0.81	0.75	0.86
14	B₂	986	983	33.65	0.21	0.75	0.86
15	B₂	742	740	11.37	15.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.871
C2	0.000	0.650	-0.505
C3	0.000	-0.650	-0.505
H4	0.000	1.587	-1.054
H5	0.000	-1.587	-1.054
H6	0.919	0.000	1.474
H7	-0.919	0.000	1.474

	C1	C2	C3	H4	H5	H6	H7
C1		1.5224	1.5224	2.4948	2.4948	1.0986	1.0986
C2	1.5224		1.3005	1.0853	2.3032	2.2767	2.2767
C3	1.5224	1.3005		2.3032	1.0853	2.2767	2.2767
H4	2.4948	1.0853	2.3032		3.1732	3.1226	3.1226
H5	2.4948	2.3032	1.0853	3.1732		3.1226	3.1226
H6	1.0986	2.2767	2.2767	3.1226	3.1226		1.8373
H7	1.0986	2.2767	2.2767	3.1226	3.1226	1.8373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.714	C1	C2	H4	145.657
C1	C3	C2	64.714	C1	C3	H5	145.657
C2	C1	C3	50.571	C2	C1	H6	119.727
C2	C1	H7	119.727	C2	C3	H5	149.629
C3	C1	H6	119.727	C3	C1	H7	119.727
C3	C2	H4	149.629	H6	C1	H7	113.485

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: BLYP/6-311G*

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	-0.387
2	C	-0.171
3	C	-0.171
4	H	0.179
5	H	0.179
6	H	0.185
7	H	0.185

	x	y	z	Total
	0.000	0.000	-0.501	0.501
CHELPG
AIM
ESP

<r²>	37.501
(<r²>)^1/2	6.124

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)