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	hartrees
Energy at 0K	-155.445551
Energy at 298.15K	-155.451809
HF Energy	-154.898439
Nuclear repulsion energy	112.995118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3077	21.51
2	A₁	3091	2925	37.90
3	A₁	1678	1588	0.48
4	A₁	1553	1470	0.01
5	A₁	1272	1204	1.25
6	A₁	1169	1106	0.05
7	A₁	1035	980	0.00
8	A₁	931	881	1.33
9	A₂	3130	2962	0.00
10	A₂	1207	1142	0.00
11	A₂	1070	1013	0.00
12	A₂	913	864	0.00
13	A₂	309	293	0.00
14	B₁	3143	2975	53.81
15	B₁	1130	1070	4.61
16	B₁	896	848	12.39
17	B₁	662	627	46.31
18	B₂	3219	3047	14.21
19	B₂	3085	2920	37.55
20	B₂	1530	1448	0.09
21	B₂	1364	1291	11.30
22	B₂	1274	1206	2.26
23	B₂	934	884	10.77
24	B₂	872	826	1.19

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	-0.700
C4	0.000	-0.784	-0.700
H5	0.000	1.422	1.602
H6	0.000	-1.422	1.602
H7	0.891	1.244	-1.146
H8	-0.891	-1.244	-1.146
H9	-0.891	1.244	-1.146
H10	0.891	-1.244	-1.146

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3429	1.5193	2.1008	1.0880	2.2369	2.2289	2.8824	2.2289	2.8824
C2	1.3429		2.1008	1.5193	2.2369	1.0880	2.8824	2.2289	2.8824	2.2289
C3	1.5193	2.1008		1.5677	2.3893	3.1888	1.0975	2.2592	1.0975	2.2592
C4	2.1008	1.5193	1.5677		3.1888	2.3893	2.2592	1.0975	2.2592	1.0975
H5	1.0880	2.2369	2.3893	3.1888		2.8447	2.8949	3.9315	2.8949	3.9315
H6	2.2369	1.0880	3.1888	2.3893	2.8447		3.9315	2.8949	3.9315	2.8949
H7	2.2289	2.8824	1.0975	2.2592	2.8949	3.9315		3.0599	1.7820	2.4875
H8	2.8824	2.2289	2.2592	1.0975	3.9315	2.8949	3.0599		2.4875	1.7820
H9	2.2289	2.8824	1.0975	2.2592	2.8949	3.9315	1.7820	2.4875		3.0599
H10	2.8824	2.2289	2.2592	1.0975	3.9315	2.8949	2.4875	1.7820	3.0599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.243	C1	C2	H6	133.648
C1	C3	C4	85.757	C1	C3	H7	115.875
C1	C3	H9	115.875	C2	C1	C3	94.243
C2	C1	H5	133.648	C2	C4	C3	85.757
C2	C4	H8	115.875	C2	C4	H10	115.875
C3	C1	H5	132.109	C3	C4	H8	114.775
C3	C4	H10	114.775	C4	C2	H6	132.109
C4	C3	H7	114.775	C4	C3	H9	114.775
H7	C3	H9	108.558	H8	C4	H10	108.558

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)