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	hartrees
Energy at 0K	-155.581203
Energy at 298.15K	-155.587472
HF Energy	-154.917959
Nuclear repulsion energy	113.092356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3093	16.97
2	A₁	3100	2937	35.86
3	A₁	1647	1560	0.67
4	A₁	1525	1444	0.00
5	A₁	1253	1187	1.11
6	A₁	1153	1093	0.04
7	A₁	1023	969	0.04
8	A₁	922	873	0.91
9	A₂	3139	2974	0.00
10	A₂	1200	1137	0.00
11	A₂	1052	997	0.00
12	A₂	949	899	0.00
13	A₂	310	294	0.00
14	B₁	3154	2988	43.02
15	B₁	1122	1063	5.10
16	B₁	885	839	13.34
17	B₁	665	630	35.22
18	B₂	3233	3063	10.39
19	B₂	3094	2931	36.20
20	B₂	1502	1423	0.00
21	B₂	1346	1275	11.40
22	B₂	1260	1194	1.59
23	B₂	922	874	10.98
24	B₂	870	825	1.20

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	1.418	1.599
H6	0.000	-1.418	1.599
H7	0.888	1.242	-1.144
H8	-0.888	-1.242	-1.144
H9	-0.888	1.242	-1.144
H10	0.888	-1.242	-1.144

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3420	1.5204	2.1015	1.0824	2.2308	2.2257	2.8790	2.2257	2.8790
C2	1.3420		2.1015	1.5204	2.2308	1.0824	2.8790	2.2257	2.8790	2.2257
C3	1.5204	2.1015		1.5685	2.3854	3.1839	1.0931	2.2567	1.0931	2.2567
C4	2.1015	1.5204	1.5685		3.1839	2.3854	2.2567	1.0931	2.2567	1.0931
H5	1.0824	2.2308	2.3854	3.1839		2.8354	2.8882	3.9227	2.8882	3.9227
H6	2.2308	1.0824	3.1839	2.3854	2.8354		3.9227	2.8882	3.9227	2.8882
H7	2.2257	2.8790	1.0931	2.2567	2.8882	3.9227		3.0545	1.7761	2.4850
H8	2.8790	2.2257	2.2567	1.0931	3.9227	2.8882	3.0545		2.4850	1.7761
H9	2.2257	2.8790	1.0931	2.2567	2.8882	3.9227	1.7761	2.4850		3.0545
H10	2.8790	2.2257	2.2567	1.0931	3.9227	2.8882	2.4850	1.7761	3.0545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.272	C1	C2	H6	133.623
C1	C3	C4	85.728	C1	C3	H7	115.809
C1	C3	H9	115.809	C2	C1	C3	94.272
C2	C1	H5	133.623	C2	C4	C3	85.728
C2	C4	H8	115.809	C2	C4	H10	115.809
C3	C1	H5	132.105	C3	C4	H8	114.785
C3	C4	H10	114.785	C4	C2	H6	132.105
C4	C3	H7	114.785	C4	C3	H9	114.785
H7	C3	H9	108.665	H8	C4	H10	108.665

All results from a given calculation for C₄H₆ (Cyclobutene)

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

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)