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	hartrees
Energy at 0K	-156.035907
Energy at 298.15K	-156.042148
HF Energy	-156.035907
Nuclear repulsion energy	113.371942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3082	21.61
2	A₁	3040	2926	49.78
3	A₁	1634	1573	1.41
4	A₁	1488	1433	0.41
5	A₁	1216	1171	2.18
6	A₁	1133	1091	0.08
7	A₁	998	961	0.00
8	A₁	886	853	0.98
9	A₂	3069	2954	0.00
10	A₂	1172	1128	0.00
11	A₂	1044	1005	0.00
12	A₂	945	910	0.00
13	A₂	326	314	0.00
14	B₁	3084	2968	49.27
15	B₁	1100	1059	6.57
16	B₁	869	837	17.36
17	B₁	652	627	47.21
18	B₂	3171	3052	15.91
19	B₂	3035	2921	46.21
20	B₂	1469	1414	0.79
21	B₂	1323	1274	12.74
22	B₂	1244	1197	3.52
23	B₂	897	863	14.35
24	B₂	866	834	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.668	0.812
C2	0.000	-0.668	0.812
C3	0.000	0.783	-0.698
C4	0.000	-0.783	-0.698
H5	0.000	1.411	1.598
H6	0.000	-1.411	1.598
H7	0.886	1.242	-1.141
H8	-0.886	-1.242	-1.141
H9	-0.886	1.242	-1.141
H10	0.886	-1.242	-1.141

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3356	1.5145	2.0943	1.0819	2.2228	2.2204	2.8718	2.2204	2.8718
C2	1.3356		2.0943	1.5145	2.2228	1.0819	2.8718	2.2204	2.8718	2.2204
C3	1.5145	2.0943		1.5667	2.3802	3.1762	1.0919	2.2547	1.0919	2.2547
C4	2.0943	1.5145	1.5667		3.1762	2.3802	2.2547	1.0919	2.2547	1.0919
H5	1.0819	2.2228	2.3802	3.1762		2.8230	2.8837	3.9150	2.8837	3.9150
H6	2.2228	1.0819	3.1762	2.3802	2.8230		3.9150	2.8837	3.9150	2.8837
H7	2.2204	2.8718	1.0919	2.2547	2.8837	3.9150		3.0515	1.7726	2.4839
H8	2.8718	2.2204	2.2547	1.0919	3.9150	2.8837	3.0515		2.4839	1.7726
H9	2.2204	2.8718	1.0919	2.2547	2.8837	3.9150	1.7726	2.4839		3.0515
H10	2.8718	2.2204	2.2547	1.0919	3.9150	2.8837	2.4839	1.7726	3.0515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.377	C1	C2	H6	133.427
C1	C3	C4	85.623	C1	C3	H7	115.892
C1	C3	H9	115.892	C2	C1	C3	94.377
C2	C1	H5	133.427	C2	C4	C3	85.623
C2	C4	H8	115.892	C2	C4	H10	115.892
C3	C1	H5	132.197	C3	C4	H8	114.835
C3	C4	H10	114.835	C4	C2	H6	132.197
C4	C3	H7	114.835	C4	C3	H9	114.835
H7	C3	H9	108.532	H8	C4	H10	108.532

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B3LYP/Def2TZVPP

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	-0.159
2	C	-0.159
3	C	-0.107
4	C	-0.107
5	H	0.123
6	H	0.123
7	H	0.072
8	H	0.072
9	H	0.072
10	H	0.072

<r²>	65.870
(<r²>)^1/2	8.116

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)