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	hartrees
Energy at 0K	-155.959816
Energy at 298.15K	-155.966103
HF Energy	-155.959816
Nuclear repulsion energy	113.412903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3093	21.90
2	A₁	3069	2935	46.13
3	A₁	1670	1597	0.87
4	A₁	1503	1437	0.61
5	A₁	1239	1185	3.15
6	A₁	1152	1101	0.16
7	A₁	1015	971	0.03
8	A₁	914	874	1.78
9	A₂	3107	2971	0.00
10	A₂	1185	1133	0.00
11	A₂	1049	1004	0.00
12	A₂	961	919	0.00
13	A₂	325	311	0.00
14	B₁	3121	2985	57.40
15	B₁	1115	1066	5.79
16	B₁	885	847	17.58
17	B₁	664	635	52.08
18	B₂	3201	3061	15.49
19	B₂	3062	2929	46.59
20	B₂	1478	1413	1.00
21	B₂	1339	1281	15.01
22	B₂	1251	1196	4.22
23	B₂	916	876	16.54
24	B₂	868	830	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.667	0.812
C2	0.000	-0.667	0.812
C3	0.000	0.782	-0.698
C4	0.000	-0.782	-0.698
H5	0.000	1.412	1.598
H6	0.000	-1.412	1.598
H7	0.889	1.240	-1.140
H8	-0.889	-1.240	-1.140
H9	-0.889	1.240	-1.140
H10	0.889	-1.240	-1.140

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3335	1.5141	2.0921	1.0836	2.2229	2.2202	2.8699	2.2202	2.8699
C2	1.3335		2.0921	1.5141	2.2229	1.0836	2.8699	2.2202	2.8699	2.2202
C3	1.5141	2.0921		1.5632	2.3810	3.1757	1.0937	2.2524	1.0937	2.2524
C4	2.0921	1.5141	1.5632		3.1757	2.3810	2.2524	1.0937	2.2524	1.0937
H5	1.0836	2.2229	2.3810	3.1757		2.8249	2.8841	3.9146	2.8841	3.9146
H6	2.2229	1.0836	3.1757	2.3810	2.8249		3.9146	2.8841	3.9146	2.8841
H7	2.2202	2.8699	1.0937	2.2524	2.8841	3.9146		3.0516	1.7782	2.4800
H8	2.8699	2.2202	2.2524	1.0937	3.9146	2.8841	3.0516		2.4800	1.7782
H9	2.2202	2.8699	1.0937	2.2524	2.8841	3.9146	1.7782	2.4800		3.0516
H10	2.8699	2.2202	2.2524	1.0937	3.9146	2.8841	2.4800	1.7782	3.0516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.350	C1	C2	H6	133.487
C1	C3	C4	85.650	C1	C3	H7	115.788
C1	C3	H9	115.788	C2	C1	C3	94.350
C2	C1	H5	133.487	C2	C4	C3	85.650
C2	C4	H8	115.788	C2	C4	H10	115.788
C3	C1	H5	132.163	C3	C4	H8	114.779
C3	C4	H10	114.779	C4	C2	H6	132.163
C4	C3	H7	114.779	C4	C3	H9	114.779
H7	C3	H9	108.758	H8	C4	H10	108.758

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: wB97X-D/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	-0.128
2	C	-0.128
3	C	-0.227
4	C	-0.227
5	H	0.098
6	H	0.098
7	H	0.129
8	H	0.129
9	H	0.129
10	H	0.129

<r²>	65.566
(<r²>)^1/2	8.097

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)