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	hartrees
Energy at 0K	-155.451003
Energy at 298.15K	-155.457248
HF Energy	-154.898190
Nuclear repulsion energy	112.881765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3085	22.98
2	A₁	3078	2932	40.36
3	A₁	1661	1582	0.53
4	A₁	1548	1475	0.00
5	A₁	1266	1205	1.13
6	A₁	1163	1108	0.05
7	A₁	1030	981	0.01
8	A₁	924	880	1.33
9	A₂	3114	2965	0.00
10	A₂	1203	1146	0.00
11	A₂	1065	1015	0.00
12	A₂	907	863	0.00
13	A₂	308	294	0.00
14	B₁	3128	2979	58.50
15	B₁	1127	1073	4.58
16	B₁	892	850	12.37
17	B₁	660	629	45.39
18	B₂	3208	3055	15.51
19	B₂	3072	2925	41.90
20	B₂	1526	1453	0.01
21	B₂	1358	1293	11.58
22	B₂	1268	1208	2.83
23	B₂	929	884	11.10
24	B₂	870	828	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.816
C2	0.000	-0.673	0.816
C3	0.000	0.785	-0.701
C4	0.000	-0.785	-0.701
H5	0.000	1.424	1.603
H6	0.000	-1.424	1.603
H7	0.891	1.245	-1.147
H8	-0.891	-1.245	-1.147
H9	-0.891	1.245	-1.147
H10	0.891	-1.245	-1.147

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3458	1.5204	2.1032	1.0885	2.2403	2.2302	2.8854	2.2302	2.8854
C2	1.3458		2.1032	1.5204	2.2403	1.0885	2.8854	2.2302	2.8854	2.2302
C3	1.5204	2.1032		1.5692	2.3910	3.1917	1.0981	2.2613	1.0981	2.2613
C4	2.1032	1.5204	1.5692		3.1917	2.3910	2.2613	1.0981	2.2613	1.0981
H5	1.0885	2.2403	2.3910	3.1917		2.8488	2.8966	3.9350	2.8966	3.9350
H6	2.2403	1.0885	3.1917	2.3910	2.8488		3.9350	2.8966	3.9350	2.8966
H7	2.2302	2.8854	1.0981	2.2613	2.8966	3.9350		3.0625	1.7828	2.4902
H8	2.8854	2.2302	2.2613	1.0981	3.9350	2.8966	3.0625		2.4902	1.7828
H9	2.2302	2.8854	1.0981	2.2613	2.8966	3.9350	1.7828	2.4902		3.0625
H10	2.8854	2.2302	2.2613	1.0981	3.9350	2.8966	2.4902	1.7828	3.0625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.212	C1	C2	H6	133.659
C1	C3	C4	85.788	C1	C3	H7	115.862
C1	C3	H9	115.862	C2	C1	C3	94.212
C2	C1	H5	133.659	C2	C4	C3	85.788
C2	C4	H8	115.862	C2	C4	H10	115.862
C3	C1	H5	132.129	C3	C4	H8	114.793
C3	C4	H10	114.793	C4	C2	H6	132.129
C4	C3	H7	114.793	C4	C3	H9	114.793
H7	C3	H9	108.532	H8	C4	H10	108.532

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: QCISD/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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All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)