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	hartrees
Energy at 0K	-155.917376
Energy at 298.15K	-155.923611
Nuclear repulsion energy	113.248251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3090	27.48
2	A₁	3065	2932	46.73
3	A₁	1666	1593	0.73
4	A₁	1514	1448	0.01
5	A₁	1236	1182	1.65
6	A₁	1151	1102	0.03
7	A₁	1018	974	0.03
8	A₁	917	877	1.38
9	A₂	3101	2967	0.00
10	A₂	1182	1131	0.00
11	A₂	1049	1003	0.00
12	A₂	940	899	0.00
13	A₂	319	305	0.00
14	B₁	3116	2981	57.49
15	B₁	1112	1064	3.88
16	B₁	881	843	13.06
17	B₁	653	625	46.88
18	B₂	3198	3059	19.30
19	B₂	3059	2926	46.61
20	B₂	1491	1427	0.06
21	B₂	1342	1284	12.74
22	B₂	1245	1191	4.11
23	B₂	921	881	13.51
24	B₂	859	822	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.812
C2	0.000	-0.670	0.812
C3	0.000	0.783	-0.697
C4	0.000	-0.783	-0.697
H5	0.000	1.421	1.598
H6	0.000	-1.421	1.598
H7	0.890	1.243	-1.144
H8	-0.890	-1.243	-1.144
H9	-0.890	1.243	-1.144
H10	0.890	-1.243	-1.144

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3400	1.5133	2.0947	1.0875	2.2343	2.2240	2.8770	2.2240	2.8770
C2	1.3400		2.0947	1.5133	2.2343	1.0875	2.8770	2.2240	2.8770	2.2240
C3	1.5133	2.0947		1.5653	2.3825	3.1821	1.0971	2.2571	1.0971	2.2571
C4	2.0947	1.5133	1.5653		3.1821	2.3825	2.2571	1.0971	2.2571	1.0971
H5	1.0875	2.2343	2.3825	3.1821		2.8429	2.8884	3.9255	2.8884	3.9255
H6	2.2343	1.0875	3.1821	2.3825	2.8429		3.9255	2.8884	3.9255	2.8884
H7	2.2240	2.8770	1.0971	2.2571	2.8884	3.9255		3.0575	1.7802	2.4858
H8	2.8770	2.2240	2.2571	1.0971	3.9255	2.8884	3.0575		2.4858	1.7802
H9	2.2240	2.8770	1.0971	2.2571	2.8884	3.9255	1.7802	2.4858		3.0575
H10	2.8770	2.2240	2.2571	1.0971	3.9255	2.8884	2.4858	1.7802	3.0575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.269	C1	C2	H6	133.709
C1	C3	C4	85.731	C1	C3	H7	115.931
C1	C3	H9	115.931	C2	C1	C3	94.269
C2	C1	H5	133.709	C2	C4	C3	85.731
C2	C4	H8	115.931	C2	C4	H10	115.931
C3	C1	H5	132.022	C3	C4	H8	114.803
C3	C4	H10	114.803	C4	C2	H6	132.022
C4	C3	H7	114.803	C4	C3	H9	114.803
H7	C3	H9	108.446	H8	C4	H10	108.446

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.130	-0.152
2	C	-0.130	-0.152
3	C	-0.358	-0.097
4	C	-0.358	-0.097
5	H	0.149	0.118
6	H	0.149	0.118
7	H	0.170	0.066
8	H	0.170	0.065
9	H	0.170	0.065
10	H	0.170	0.066

	x	y	z	Total
	0.000	0.000	-0.133	0.133
CHELPG
AIM
ESP	0.008	0.000	-0.175	0.175

<r²>	65.453
(<r²>)^1/2	8.090

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)