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	hartrees
Energy at 0K	-155.877016
Energy at 298.15K	-155.883271
HF Energy	-155.660495
Nuclear repulsion energy	113.401815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3092	21.71
2	A₁	3066	2942	46.17
3	A₁	1623	1557	1.07
4	A₁	1499	1438	0.26
5	A₁	1223	1173	1.93
6	A₁	1141	1094	0.08
7	A₁	1007	966	0.00
8	A₁	896	859	1.03
9	A₂	3101	2976	0.00
10	A₂	1181	1133	0.00
11	A₂	1044	1002	0.00
12	A₂	942	904	0.00
13	A₂	318	305	0.00
14	B₁	3115	2989	48.19
15	B₁	1107	1063	6.09
16	B₁	874	839	16.65
17	B₁	652	626	43.86
18	B₂	3192	3063	15.36
19	B₂	3061	2937	43.34
20	B₂	1479	1419	0.56
21	B₂	1331	1277	12.28
22	B₂	1247	1196	3.38
23	B₂	906	869	13.55
24	B₂	866	830	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.812
C2	0.000	-0.669	0.812
C3	0.000	0.783	-0.698
C4	0.000	-0.783	-0.698
H5	0.000	1.412	1.596
H6	0.000	-1.412	1.596
H7	0.886	1.239	-1.140
H8	-0.886	-1.239	-1.140
H9	-0.886	1.239	-1.140
H10	0.886	-1.239	-1.140

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3387	1.5141	2.0949	1.0804	2.2246	2.2178	2.8700	2.2178	2.8700
C2	1.3387		2.0949	1.5141	2.2246	1.0804	2.8700	2.2178	2.8700	2.2178
C3	1.5141	2.0949		1.5657	2.3790	3.1752	1.0900	2.2515	1.0900	2.2515
C4	2.0949	1.5141	1.5657		3.1752	2.3790	2.2515	1.0900	2.2515	1.0900
H5	1.0804	2.2246	2.3790	3.1752		2.8246	2.8811	3.9118	2.8811	3.9118
H6	2.2246	1.0804	3.1752	2.3790	2.8246		3.9118	2.8811	3.9118	2.8811
H7	2.2178	2.8700	1.0900	2.2515	2.8811	3.9118		3.0467	1.7714	2.4789
H8	2.8700	2.2178	2.2515	1.0900	3.9118	2.8811	3.0467		2.4789	1.7714
H9	2.2178	2.8700	1.0900	2.2515	2.8811	3.9118	1.7714	2.4789		3.0467
H10	2.8700	2.2178	2.2515	1.0900	3.9118	2.8811	2.4789	1.7714	3.0467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.299	C1	C2	H6	133.444
C1	C3	C4	85.701	C1	C3	H7	115.827
C1	C3	H9	115.827	C2	C1	C3	94.299
C2	C1	H5	133.444	C2	C4	C3	85.701
C2	C4	H8	115.827	C2	C4	H10	115.827
C3	C1	H5	132.257	C3	C4	H8	114.762
C3	C4	H10	114.762	C4	C2	H6	132.257
C4	C3	H7	114.762	C4	C3	H9	114.762
H7	C3	H9	108.689	H8	C4	H10	108.689

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.165
2	C	-0.165
3	C	-0.173
4	C	-0.173
5	H	0.132
6	H	0.132
7	H	0.103
8	H	0.103
9	H	0.103
10	H	0.103

<r²>	65.808
(<r²>)^1/2	8.112

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)