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	hartrees
Energy at 0K	-155.989535
Energy at 298.15K	-155.995737
Nuclear repulsion energy	112.755358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3108	22.02
2	A₁	3041	2951	52.58
3	A₁	1628	1580	1.81
4	A₁	1472	1428	0.57
5	A₁	1203	1167	1.84
6	A₁	1129	1095	0.12
7	A₁	994	965	0.00
8	A₁	888	862	0.93
9	A₂	3076	2985	0.00
10	A₂	1158	1124	0.00
11	A₂	1025	994	0.00
12	A₂	898	872	0.00
13	A₂	315	305	0.00
14	B₁	3089	2998	51.92
15	B₁	1083	1051	6.79
16	B₁	854	829	17.46
17	B₁	635	616	50.20
18	B₂	3171	3077	16.14
19	B₂	3036	2946	47.57
20	B₂	1453	1410	0.89
21	B₂	1311	1272	12.34
22	B₂	1216	1180	3.03
23	B₂	894	867	15.00
24	B₂	859	833	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.816
C2	0.000	-0.673	0.816
C3	0.000	0.787	-0.701
C4	0.000	-0.787	-0.701
H5	0.000	1.423	1.608
H6	0.000	-1.423	1.608
H7	0.893	1.249	-1.147
H8	-0.893	-1.249	-1.147
H9	-0.893	1.249	-1.147
H10	0.893	-1.249	-1.147

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3454	1.5211	2.1050	1.0911	2.2402	2.2321	2.8883	2.2321	2.8883
C2	1.3454		2.1050	1.5211	2.2402	1.0911	2.8883	2.2321	2.8883	2.2321
C3	1.5211	2.1050		1.5737	2.3952	3.1961	1.0998	2.2672	1.0998	2.2672
C4	2.1050	1.5211	1.5737		3.1961	2.3952	2.2672	1.0998	2.2672	1.0998
H5	1.0911	2.2402	2.3952	3.1961		2.8454	2.9017	3.9403	2.9017	3.9403
H6	2.2402	1.0911	3.1961	2.3952	2.8454		3.9403	2.9017	3.9403	2.9017
H7	2.2321	2.8883	1.0998	2.2672	2.9017	3.9403		3.0703	1.7858	2.4975
H8	2.8883	2.2321	2.2672	1.0998	3.9403	2.9017	3.0703		2.4975	1.7858
H9	2.2321	2.8883	1.0998	2.2672	2.9017	3.9403	1.7858	2.4975		3.0703
H10	2.8883	2.2321	2.2672	1.0998	3.9403	2.9017	2.4975	1.7858	3.0703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.304	C1	C2	H6	133.422
C1	C3	C4	85.696	C1	C3	H7	115.850
C1	C3	H9	115.850	C2	C1	C3	94.304
C2	C1	H5	133.422	C2	C4	C3	85.696
C2	C4	H8	115.850	C2	C4	H10	115.850
C3	C1	H5	132.273	C3	C4	H8	114.833
C3	C4	H10	114.833	C4	C2	H6	132.273
C4	C3	H7	114.833	C4	C3	H9	114.833
H7	C3	H9	108.552	H8	C4	H10	108.552

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B3LYP/aug-cc-pVDZ

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: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)