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	hartrees
Energy at 0K	-157.157342
Energy at 298.15K	-157.166466
HF Energy	-157.157342
Nuclear repulsion energy	127.690636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2977	0.00
2	A₁	3069	2942	0.00
3	A₁	1516	1453	0.00
4	A₁	1168	1119	0.00
5	A₁	1043	1000	0.00
6	A₁	211	202	0.00
7	A₂	1246	1195	0.00
8	A₂	962	922	0.00
9	B₁	1256	1204	0.00
10	B₁	1163	1115	0.00
11	B₁	962	923	0.00
12	B₂	3135	3005	103.30
13	B₂	3063	2936	13.51
14	B₂	1481	1420	5.38
15	B₂	897	860	0.00
16	B₂	616	591	3.17
17	E	3118	2989	27.05
17	E	3118	2989	27.05
18	E	3063	2937	75.98
18	E	3063	2937	75.98
19	E	1475	1414	1.23
19	E	1475	1414	1.23
20	E	1287	1233	2.89
20	E	1287	1233	2.89
21	E	1249	1198	0.39
21	E	1249	1198	0.39
22	E	933	894	3.35
22	E	933	894	3.35
23	E	755	724	0.45
23	E	755	724	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.072	0.140
C2	0.000	-1.072	0.140
C3	-1.072	0.000	-0.140
C4	1.072	0.000	-0.140
H5	0.000	1.362	1.193
H6	0.000	1.975	-0.471
H7	0.000	-1.362	1.193
H8	0.000	-1.975	-0.471
H9	-1.362	0.000	-1.193
H10	-1.975	0.000	0.471
H11	1.362	0.000	-1.193
H12	1.975	0.000	0.471

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1435	1.5413	1.5413	1.0918	1.0904	2.6513	3.1075	2.1859	2.2714	2.1859	2.2714
C2	2.1435		1.5413	1.5413	2.6513	3.1075	1.0918	1.0904	2.1859	2.2714	2.1859	2.2714
C3	1.5413	1.5413		2.1435	2.1859	2.2714	2.1859	2.2714	1.0918	1.0904	2.6513	3.1075
C4	1.5413	1.5413	2.1435		2.1859	2.2714	2.1859	2.2714	2.6513	3.1075	1.0918	1.0904
H5	1.0918	2.6513	2.1859	2.1859		1.7728	2.7232	3.7283	3.0654	2.5052	3.0654	2.5052
H6	1.0904	3.1075	2.2714	2.2714	1.7728		3.7283	3.9503	2.5052	2.9476	2.5052	2.9476
H7	2.6513	1.0918	2.1859	2.1859	2.7232	3.7283		1.7728	3.0654	2.5052	3.0654	2.5052
H8	3.1075	1.0904	2.2714	2.2714	3.7283	3.9503	1.7728		2.5052	2.9476	2.5052	2.9476
H9	2.1859	2.1859	1.0918	2.6513	3.0654	2.5052	3.0654	2.5052		1.7728	2.7232	3.7283
H10	2.2714	2.2714	1.0904	3.1075	2.5052	2.9476	2.5052	2.9476	1.7728		3.7283	3.9503
H11	2.1859	2.1859	2.6513	1.0918	3.0654	2.5052	3.0654	2.5052	2.7232	3.7283		1.7728
H12	2.2714	2.2714	3.1075	1.0904	2.5052	2.9476	2.5052	2.9476	3.7283	3.9503	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.112	C1	C3	H9	111.075
C1	C3	H10	118.324	C1	C4	C2	88.112
C1	C4	H11	111.075	C1	C4	H12	118.324
C2	C3	H9	111.075	C2	C3	H10	118.324
C2	C4	H11	111.075	C2	C4	H12	118.324
C3	C1	C4	88.112	C3	C1	H5	111.075
C3	C1	H6	118.324	C3	C2	C4	88.112
C3	C2	H7	111.075	C3	C2	H8	118.324
C4	C1	H5	111.075	C4	C1	H6	118.324
C4	C2	H7	111.075	C4	C2	H8	118.324
H5	C1	H6	108.661	H7	C2	H8	108.661
H9	C3	H10	108.661	H11	C4	H12	108.661

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B1B95/6-311G*

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	-0.255
2	C	-0.255
3	C	-0.255
4	C	-0.255
5	H	0.132
6	H	0.123
7	H	0.132
8	H	0.123
9	H	0.132
10	H	0.123
11	H	0.132
12	H	0.123

<r²>	74.320
(<r²>)^1/2	8.621

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)