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	hartrees
Energy at 0K	-155.763494
Energy at 298.15K	-155.769629
Nuclear repulsion energy	112.633331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3103	27.28
2	A₁	2987	2946	44.63
3	A₁	1608	1586	0.86
4	A₁	1448	1428	0.02
5	A₁	1180	1164	1.57
6	A₁	1116	1101	0.00
7	A₁	990	976	0.11
8	A₁	887	875	1.11
9	A₂	3026	2985	0.00
10	A₂	1135	1119	0.00
11	A₂	1004	990	0.00
12	A₂	900	888	0.00
13	A₂	308	304	0.00
14	B₁	3039	2998	50.53
15	B₁	1068	1054	3.25
16	B₁	851	839	11.57
17	B₁	627	618	42.20
18	B₂	3114	3072	18.08
19	B₂	2982	2941	42.56
20	B₂	1427	1407	0.11
21	B₂	1292	1274	10.86
22	B₂	1192	1175	3.78
23	B₂	894	882	12.32
24	B₂	833	821	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.675	0.815
C2	0.000	-0.675	0.815
C3	0.000	0.787	-0.700
C4	0.000	-0.787	-0.700
H5	0.000	1.433	1.606
H6	0.000	-1.433	1.606
H7	0.896	1.249	-1.150
H8	-0.896	-1.249	-1.150
H9	-0.896	1.249	-1.150
H10	0.896	-1.249	-1.150

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3504	1.5190	2.1053	1.0946	2.2510	2.2351	2.8931	2.2351	2.8931
C2	1.3504		2.1053	1.5190	2.2510	1.0946	2.8931	2.2351	2.8931	2.2351
C3	1.5190	2.1053		1.5735	2.3939	3.1999	1.1042	2.2695	1.1042	2.2695
C4	2.1053	1.5190	1.5735		3.1999	2.3939	2.2695	1.1042	2.2695	1.1042
H5	1.0946	2.2510	2.3939	3.1999		2.8651	2.9037	3.9485	2.9037	3.9485
H6	2.2510	1.0946	3.1999	2.3939	2.8651		3.9485	2.9037	3.9485	2.9037
H7	2.2351	2.8931	1.1042	2.2695	2.9037	3.9485		3.0743	1.7910	2.4987
H8	2.8931	2.2351	2.2695	1.1042	3.9485	2.9037	3.0743		2.4987	1.7910
H9	2.2351	2.8931	1.1042	2.2695	2.9037	3.9485	1.7910	2.4987		3.0743
H10	2.8931	2.2351	2.2695	1.1042	3.9485	2.9037	2.4987	1.7910	3.0743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.211	C1	C2	H6	133.781
C1	C3	C4	85.789	C1	C3	H7	115.976
C1	C3	H9	115.976	C2	C1	C3	94.211
C2	C1	H5	133.781	C2	C4	C3	85.789
C2	C4	H8	115.976	C2	C4	H10	115.976
C3	C1	H5	132.008	C3	C4	H8	114.769
C3	C4	H10	114.769	C4	C2	H6	132.008
C4	C3	H7	114.769	C4	C3	H9	114.769
H7	C3	H9	108.388	H8	C4	H10	108.388

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.073
2	C	-0.073
3	C	-0.255
4	C	-0.255
5	H	0.086
6	H	0.086
7	H	0.121
8	H	0.121
9	H	0.121
10	H	0.121

<r²>	66.077
(<r²>)^1/2	8.129

All results from a given calculation for C4H6 (Cyclobutene)

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

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)