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	hartrees
Energy at 0K	-157.028079
Energy at 298.15K	-157.037264
HF Energy	-156.840840
Nuclear repulsion energy	127.185140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3143	0.00
2	A₁	3106	3106	0.00
3	A₁	1560	1560	0.00
4	A₁	1201	1201	0.00
5	A₁	1038	1038	0.00
6	A₁	220	220	0.00
7	A₂	1277	1277	0.00
8	A₂	977	977	0.00
9	B₁	1288	1288	0.00
10	B₁	1190	1190	0.00
11	B₁	961	961	0.00
12	B₂	3172	3172	98.80
13	B₂	3099	3099	10.70
14	B₂	1526	1526	3.45
15	B₂	914	914	0.04
16	B₂	639	639	2.56
17	E	3156	3156	19.93
17	E	3156	3156	19.93
18	E	3099	3099	74.32
18	E	3099	3099	74.32
19	E	1520	1520	0.04
19	E	1520	1520	0.04
20	E	1319	1319	0.43
20	E	1319	1319	0.43
21	E	1274	1274	0.20
21	E	1274	1274	0.20
22	E	934	934	2.15
22	E	934	934	2.15
23	E	769	769	0.56
23	E	769	769	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.136
C2	0.000	-1.078	0.136
C3	-1.078	0.000	-0.136
C4	1.078	0.000	-0.136
H5	0.000	1.381	1.186
H6	0.000	1.975	-0.485
H7	0.000	-1.381	1.186
H8	0.000	-1.975	-0.485
H9	-1.381	0.000	-1.186
H10	-1.975	0.000	0.485
H11	1.381	0.000	-1.186
H12	1.975	0.000	0.485

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1563	1.5490	1.5490	1.0922	1.0912	2.6736	3.1160	2.1950	2.2772	2.1950	2.2772
C2	2.1563		1.5490	1.5490	2.6736	3.1160	1.0922	1.0912	2.1950	2.2772	2.1950	2.2772
C3	1.5490	1.5490		2.1563	2.1950	2.2772	2.1950	2.2772	1.0922	1.0912	2.6736	3.1160
C4	1.5490	1.5490	2.1563		2.1950	2.2772	2.1950	2.2772	2.6736	3.1160	1.0922	1.0912
H5	1.0922	2.6736	2.1950	2.1950		1.7731	2.7619	3.7490	3.0723	2.5101	3.0723	2.5101
H6	1.0912	3.1160	2.2772	2.2772	1.7731		3.7490	3.9506	2.5101	2.9569	2.5101	2.9569
H7	2.6736	1.0922	2.1950	2.1950	2.7619	3.7490		1.7731	3.0723	2.5101	3.0723	2.5101
H8	3.1160	1.0912	2.2772	2.2772	3.7490	3.9506	1.7731		2.5101	2.9569	2.5101	2.9569
H9	2.1950	2.1950	1.0922	2.6736	3.0723	2.5101	3.0723	2.5101		1.7731	2.7619	3.7490
H10	2.2772	2.2772	1.0912	3.1160	2.5101	2.9569	2.5101	2.9569	1.7731		3.7490	3.9506
H11	2.1950	2.1950	2.6736	1.0922	3.0723	2.5101	3.0723	2.5101	2.7619	3.7490		1.7731
H12	2.2772	2.2772	3.1160	1.0912	2.5101	2.9569	2.5101	2.9569	3.7490	3.9506	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.220	C1	C3	H9	111.242
C1	C3	H10	118.162	C1	C4	C2	88.220
C1	C4	H11	111.242	C1	C4	H12	118.162
C2	C3	H9	111.242	C2	C3	H10	118.162
C2	C4	H11	111.242	C2	C4	H12	118.162
C3	C1	C4	88.220	C3	C1	H5	111.242
C3	C1	H6	118.162	C3	C2	C4	88.220
C3	C2	H7	111.242	C3	C2	H8	118.162
C4	C1	H5	111.242	C4	C1	H6	118.162
C4	C2	H7	111.242	C4	C2	H8	118.162
H5	C1	H6	108.599	H7	C2	H8	108.599
H9	C3	H10	108.599	H11	C4	H12	108.599

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP/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	-0.200
2	C	-0.200
3	C	-0.200
4	C	-0.200
5	H	0.103
6	H	0.097
7	H	0.103
8	H	0.097
9	H	0.103
10	H	0.097
11	H	0.103
12	H	0.097

<r²>	74.776
(<r²>)^1/2	8.647

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B2PLYP/6-31G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)