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	hartrees
Energy at 0K	-157.065393
Energy at 298.15K	-157.074551
HF Energy	-156.844042
Nuclear repulsion energy	127.194452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3133	0.00
2	A₁	3097	3097	0.00
3	A₁	1539	1539	0.00
4	A₁	1191	1191	0.00
5	A₁	1036	1036	0.00
6	A₁	210	210	0.00
7	A₂	1269	1269	0.00
8	A₂	972	972	0.00
9	B₁	1279	1279	0.00
10	B₁	1180	1180	0.00
11	B₁	959	959	0.00
12	B₂	3163	3163	83.32
13	B₂	3089	3089	9.68
14	B₂	1509	1509	3.22
15	B₂	906	906	0.05
16	B₂	632	632	2.69
17	E	3146	3146	17.82
17	E	3146	3146	17.82
18	E	3090	3090	69.00
18	E	3090	3090	69.00
19	E	1501	1501	0.09
19	E	1501	1501	0.09
20	E	1306	1306	0.31
20	E	1306	1306	0.31
21	E	1268	1268	0.23
21	E	1268	1268	0.23
22	E	931	931	1.89
22	E	931	931	1.89
23	E	760	760	0.47
23	E	760	760	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.079	0.135
C2	0.000	-1.079	0.135
C3	-1.079	0.000	-0.135
C4	1.079	0.000	-0.135
H5	0.000	1.384	1.183
H6	0.000	1.973	-0.488
H7	0.000	-1.384	1.183
H8	0.000	-1.973	-0.488
H9	-1.384	0.000	-1.183
H10	-1.973	0.000	0.488
H11	1.384	0.000	-1.183
H12	1.973	0.000	0.488

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1573	1.5492	1.5492	1.0915	1.0901	2.6764	3.1145	2.1947	2.2760	2.1947	2.2760
C2	2.1573		1.5492	1.5492	2.6764	3.1145	1.0915	1.0901	2.1947	2.2760	2.1947	2.2760
C3	1.5492	1.5492		2.1573	2.1947	2.2760	2.1947	2.2760	1.0915	1.0901	2.6764	3.1145
C4	1.5492	1.5492	2.1573		2.1947	2.2760	2.1947	2.2760	2.6764	3.1145	1.0915	1.0901
H5	1.0915	2.6764	2.1947	2.1947		1.7722	2.7681	3.7499	3.0708	2.5079	3.0708	2.5079
H6	1.0901	3.1145	2.2760	2.2760	1.7722		3.7499	3.9455	2.5079	2.9560	2.5079	2.9560
H7	2.6764	1.0915	2.1947	2.1947	2.7681	3.7499		1.7722	3.0708	2.5079	3.0708	2.5079
H8	3.1145	1.0901	2.2760	2.2760	3.7499	3.9455	1.7722		2.5079	2.9560	2.5079	2.9560
H9	2.1947	2.1947	1.0915	2.6764	3.0708	2.5079	3.0708	2.5079		1.7722	2.7681	3.7499
H10	2.2760	2.2760	1.0901	3.1145	2.5079	2.9560	2.5079	2.9560	1.7722		3.7499	3.9455
H11	2.1947	2.1947	2.6764	1.0915	3.0708	2.5079	3.0708	2.5079	2.7681	3.7499		1.7722
H12	2.2760	2.2760	3.1145	1.0901	2.5079	2.9560	2.5079	2.9560	3.7499	3.9455	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.255	C1	C3	H9	111.243
C1	C3	H10	118.115	C1	C4	C2	88.255
C1	C4	H11	111.243	C1	C4	H12	118.115
C2	C3	H9	111.243	C2	C3	H10	118.115
C2	C4	H11	111.243	C2	C4	H12	118.115
C3	C1	C4	88.255	C3	C1	H5	111.243
C3	C1	H6	118.115	C3	C2	C4	88.255
C3	C2	H7	111.243	C3	C2	H8	118.115
C4	C1	H5	111.243	C4	C1	H6	118.115
C4	C2	H7	111.243	C4	C2	H8	118.115
H5	C1	H6	108.649	H7	C2	H8	108.649
H9	C3	H10	108.649	H11	C4	H12	108.649

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULL/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 C4H8 (cyclobutane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)