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	hartrees
Energy at 0K	-154.832900
Energy at 298.15K	-154.839406
Nuclear repulsion energy	113.362435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3428	3095	21.03
2	A₁	3224	2911	44.81
3	A₁	1783	1610	0.83
4	A₁	1651	1491	0.43
5	A₁	1361	1229	1.59
6	A₁	1228	1109	0.00
7	A₁	1072	968	0.08
8	A₁	942	850	2.88
9	A₂	3256	2940	0.00
10	A₂	1296	1171	0.00
11	A₂	1178	1063	0.00
12	A₂	1072	968	0.00
13	A₂	358	323	0.00
14	B₁	3273	2956	77.13
15	B₁	1220	1102	9.72
16	B₁	960	866	27.06
17	B₁	756	683	62.72
18	B₂	3389	3060	10.94
19	B₂	3212	2900	57.05
20	B₂	1634	1475	0.21
21	B₂	1451	1310	14.50
22	B₂	1400	1264	6.84
23	B₂	966	872	10.12
24	B₂	951	858	6.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.665	0.817
C2	0.000	-0.665	0.817
C3	0.000	0.787	-0.703
C4	0.000	-0.787	-0.703
H5	0.000	1.402	1.594
H6	0.000	-1.402	1.594
H7	0.880	1.241	-1.140
H8	-0.880	-1.241	-1.140
H9	-0.880	1.241	-1.140
H10	0.880	-1.241	-1.140

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3305	1.5244	2.1020	1.0707	2.2083	2.2218	2.8705	2.2218	2.8705
C2	1.3305		2.1020	1.5244	2.2083	1.0707	2.8705	2.2218	2.8705	2.2218
C3	1.5244	2.1020		1.5742	2.3774	3.1726	1.0830	2.2543	1.0830	2.2543
C4	2.1020	1.5244	1.5742		3.1726	2.3774	2.2543	1.0830	2.2543	1.0830
H5	1.0707	2.2083	2.3774	3.1726		2.8036	2.8766	3.9033	2.8766	3.9033
H6	2.2083	1.0707	3.1726	2.3774	2.8036		3.9033	2.8766	3.9033	2.8766
H7	2.2218	2.8705	1.0830	2.2543	2.8766	3.9033		3.0441	1.7610	2.4830
H8	2.8705	2.2218	2.2543	1.0830	3.9033	2.8766	3.0441		2.4830	1.7610
H9	2.2218	2.8705	1.0830	2.2543	2.8766	3.9033	1.7610	2.4830		3.0441
H10	2.8705	2.2218	2.2543	1.0830	3.9033	2.8766	2.4830	1.7610	3.0441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.586	C1	C2	H6	133.466
C1	C3	C4	85.414	C1	C3	H7	115.848
C1	C3	H9	115.848	C2	C1	C3	94.586
C2	C1	H5	133.466	C2	C4	C3	85.414
C2	C4	H8	115.848	C2	C4	H10	115.848
C3	C1	H5	131.948	C3	C4	H8	114.806
C3	C4	H10	114.806	C4	C2	H6	131.948
C4	C3	H7	114.806	C4	C3	H9	114.806
H7	C3	H9	108.781	H8	C4	H10	108.781

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HF/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	CHELPG
1	C	-0.181	-0.169
2	C	-0.181	-0.169
3	C	-0.345	0.030
4	C	-0.345	0.030
5	H	0.194	0.112
6	H	0.194	0.112
7	H	0.166	0.013
8	H	0.166	0.013
9	H	0.166	0.013
10	H	0.166	0.013

<r²>	65.856
(<r²>)^1/2	8.115

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)