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	hartrees
Energy at 0K	-154.429737
Energy at 298.15K	-154.435927
HF Energy	-154.027718
Nuclear repulsion energy	111.039487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3121	16.70
2	A₁	3070	2976	25.50
3	A₁	1589	1540	0.11
4	A₁	1545	1497	0.48
5	A₁	1231	1193	2.76
6	A₁	1130	1096	0.03
7	A₁	955	925	0.02
8	A₁	815	789	1.37
9	A₂	3112	3016	0.00
10	A₂	1195	1159	0.00
11	A₂	1044	1012	0.00
12	A₂	911	883	0.00
13	A₂	306	297	0.00
14	B₁	3128	3032	40.48
15	B₁	1131	1097	3.85
16	B₁	883	856	14.87
17	B₁	671	650	52.09
18	B₂	3184	3085	10.40
19	B₂	3062	2968	28.22
20	B₂	1538	1491	0.21
21	B₂	1318	1278	8.28
22	B₂	1263	1225	9.87
23	B₂	886	859	2.15
24	B₂	830	805	5.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.679	0.835
C2	0.000	-0.679	0.835
C3	0.000	0.810	-0.720
C4	0.000	-0.810	-0.720
H5	0.000	1.426	1.622
H6	0.000	-1.426	1.622
H7	0.902	1.257	-1.155
H8	-0.902	-1.257	-1.155
H9	-0.902	1.257	-1.155
H10	0.902	-1.257	-1.155

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3571	1.5612	2.1529	1.0853	2.2466	2.2605	2.9192	2.2605	2.9192
C2	1.3571		2.1529	1.5612	2.2466	1.0853	2.9192	2.2605	2.9192	2.2605
C3	1.5612	2.1529		1.6193	2.4225	3.2382	1.0965	2.2964	1.0965	2.2964
C4	2.1529	1.5612	1.6193		3.2382	2.4225	2.2964	1.0965	2.2964	1.0965
H5	1.0853	2.2466	2.4225	3.2382		2.8513	2.9252	3.9655	2.9252	3.9655
H6	2.2466	1.0853	3.2382	2.4225	2.8513		3.9655	2.9252	3.9655	2.9252
H7	2.2605	2.9192	1.0965	2.2964	2.9252	3.9655		3.0941	1.8034	2.5141
H8	2.9192	2.2605	2.2964	1.0965	3.9655	2.9252	3.0941		2.5141	1.8034
H9	2.2605	2.9192	1.0965	2.2964	2.9252	3.9655	1.8034	2.5141		3.0941
H10	2.9192	2.2605	2.2964	1.0965	3.9655	2.9252	2.5141	1.8034	3.0941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.818	C1	C2	H6	133.503
C1	C3	C4	85.182	C1	C3	H7	115.428
C1	C3	H9	115.428	C2	C1	C3	94.818
C2	C1	H5	133.503	C2	C4	C3	85.182
C2	C4	H8	115.428	C2	C4	H10	115.428
C3	C1	H5	131.679	C3	C4	H8	114.081
C3	C4	H10	114.081	C4	C2	H6	131.679
C4	C3	H7	114.081	C4	C3	H9	114.081
H7	C3	H9	110.645	H8	C4	H10	110.645

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)