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	hartrees
Energy at 0K	-155.580350
Energy at 298.15K	-155.586622
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3090	16.58
2	A₁	3104	2935	35.36
3	A₁	1651	1561	0.65
4	A₁	1526	1442	0.00
5	A₁	1255	1186	1.12
6	A₁	1155	1092	0.04
7	A₁	1024	968	0.04
8	A₁	923	873	0.91
9	A₂	3143	2971	0.00
10	A₂	1201	1136	0.00
11	A₂	1053	996	0.00
12	A₂	950	899	0.00
13	A₂	310	293	0.00
14	B₁	3157	2985	42.15
15	B₁	1123	1061	5.10
16	B₁	886	838	13.33
17	B₁	666	630	35.33
18	B₂	3236	3060	10.47
19	B₂	3097	2929	35.45
20	B₂	1503	1421	0.01
21	B₂	1347	1274	11.41
22	B₂	1261	1192	1.55
23	B₂	923	873	10.96
24	B₂	871	824	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.815
C2	0.000	-0.671	0.815
C3	0.000	0.784	-0.701
C4	0.000	-0.784	-0.701
H5	0.000	1.417	1.599
H6	0.000	-1.417	1.599
H7	0.888	1.242	-1.143
H8	-0.888	-1.242	-1.143
H9	-0.888	1.242	-1.143
H10	0.888	-1.242	-1.143

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3413	1.5202	2.1010	1.0822	2.2300	2.2253	2.8782	2.2253	2.8782
C2	1.3413		2.1010	1.5202	2.2300	1.0822	2.8782	2.2253	2.8782	2.2253
C3	1.5202	2.1010		1.5681	2.3850	3.1832	1.0929	2.2561	1.0929	2.2561
C4	2.1010	1.5202	1.5681		3.1832	2.3850	2.2561	1.0929	2.2561	1.0929
H5	1.0822	2.2300	2.3850	3.1832		2.8344	2.8877	3.9218	2.8877	3.9218
H6	2.2300	1.0822	3.1832	2.3850	2.8344		3.9218	2.8877	3.9218	2.8877
H7	2.2253	2.8782	1.0929	2.2561	2.8877	3.9218		3.0538	1.7758	2.4843
H8	2.8782	2.2253	2.2561	1.0929	3.9218	2.8877	3.0538		2.4843	1.7758
H9	2.2253	2.8782	1.0929	2.2561	2.8877	3.9218	1.7758	2.4843		3.0538
H10	2.8782	2.2253	2.2561	1.0929	3.9218	2.8877	2.4843	1.7758	3.0538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.277	C1	C2	H6	133.619
C1	C3	C4	85.723	C1	C3	H7	115.806
C1	C3	H9	115.806	C2	C1	C3	94.277
C2	C1	H5	133.619	C2	C4	C3	85.723
C2	C4	H8	115.806	C2	C4	H10	115.806
C3	C1	H5	132.104	C3	C4	H8	114.784
C3	C4	H10	114.784	C4	C2	H6	132.104
C4	C3	H7	114.784	C4	C3	H9	114.784
H7	C3	H9	108.674	H8	C4	H10	108.674

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: CCSD/6-31G(2df,p)

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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All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)