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	hartrees
Energy at 0K	-157.194020
Energy at 298.15K	-157.203125
HF Energy	-157.194020
Nuclear repulsion energy	127.115984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	3108	0.00
2	A₁	3078	3078	0.00
3	A₁	1538	1538	0.00
4	A₁	1183	1183	0.00
5	A₁	1041	1041	0.00
6	A₁	175	175	0.00
7	A₂	1268	1268	0.00
8	A₂	984	984	0.00
9	B₁	1270	1270	0.00
10	B₁	1194	1194	0.00
11	B₁	969	969	0.00
12	B₂	3142	3142	123.24
13	B₂	3066	3066	11.13
14	B₂	1498	1498	4.76
15	B₂	890	890	0.00
16	B₂	638	638	2.98
17	E	3123	3123	19.47
17	E	3123	3123	19.47
18	E	3069	3069	93.36
18	E	3069	3069	93.36
19	E	1496	1496	2.11
19	E	1496	1496	2.11
20	E	1304	1304	3.35
20	E	1304	1304	3.35
21	E	1267	1267	0.20
21	E	1267	1267	0.20
22	E	935	935	3.64
22	E	935	935	3.64
23	E	759	759	0.36
23	E	759	759	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.123
C2	0.000	-1.080	0.123
C3	-1.080	0.000	-0.123
C4	1.080	0.000	-0.123
H5	0.000	1.421	1.162
H6	0.000	1.957	-0.529
H7	0.000	-1.421	1.162
H8	0.000	-1.957	-0.529
H9	-1.421	0.000	-1.162
H10	-1.957	0.000	0.529
H11	1.421	0.000	-1.162
H12	1.957	0.000	0.529

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1608	1.5475	1.5475	1.0933	1.0922	2.7085	3.1062	2.1992	2.2717	2.1992	2.2717
C2	2.1608		1.5475	1.5475	2.7085	3.1062	1.0933	1.0922	2.1992	2.2717	2.1992	2.2717
C3	1.5475	1.5475		2.1608	2.1992	2.2717	2.1992	2.2717	1.0933	1.0922	2.7085	3.1062
C4	1.5475	1.5475	2.1608		2.1992	2.2717	2.1992	2.2717	2.7085	3.1062	1.0933	1.0922
H5	1.0933	2.7085	2.1992	2.1992		1.7737	2.8418	3.7771	3.0720	2.4996	3.0720	2.4996
H6	1.0922	3.1062	2.2717	2.2717	1.7737		3.7771	3.9134	2.4996	2.9625	2.4996	2.9625
H7	2.7085	1.0933	2.1992	2.1992	2.8418	3.7771		1.7737	3.0720	2.4996	3.0720	2.4996
H8	3.1062	1.0922	2.2717	2.2717	3.7771	3.9134	1.7737		2.4996	2.9625	2.4996	2.9625
H9	2.1992	2.1992	1.0933	2.7085	3.0720	2.4996	3.0720	2.4996		1.7737	2.8418	3.7771
H10	2.2717	2.2717	1.0922	3.1062	2.4996	2.9625	2.4996	2.9625	1.7737		3.7771	3.9134
H11	2.1992	2.1992	2.7085	1.0933	3.0720	2.4996	3.0720	2.4996	2.8418	3.7771		1.7737
H12	2.2717	2.2717	3.1062	1.0922	2.4996	2.9625	2.4996	2.9625	3.7771	3.9134	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.555	C1	C3	H9	111.611
C1	C3	H10	117.734	C1	C4	C2	88.555
C1	C4	H11	111.611	C1	C4	H12	117.734
C2	C3	H9	111.611	C2	C3	H10	117.734
C2	C4	H11	111.611	C2	C4	H12	117.734
C3	C1	C4	88.555	C3	C1	H5	111.611
C3	C1	H6	117.734	C3	C2	C4	88.555
C3	C2	H7	111.611	C3	C2	H8	117.734
C4	C1	H5	111.611	C4	C1	H6	117.734
C4	C2	H7	111.611	C4	C2	H8	117.734
H5	C1	H6	108.500	H7	C2	H8	108.500
H9	C3	H10	108.500	H11	C4	H12	108.500

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: wB97X-D/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	-0.429
2	C	-0.429
3	C	-0.429
4	C	-0.429
5	H	0.215
6	H	0.213
7	H	0.215
8	H	0.213
9	H	0.215
10	H	0.213
11	H	0.215
12	H	0.213

<r²>	74.995
(<r²>)^1/2	8.660

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)