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	hartrees
Energy at 0K	-27.420986
Energy at 298.15K	-27.430053
HF Energy	-27.420986
Nuclear repulsion energy	71.310701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	3102	0.00
2	A₁	3072	3072	0.00
3	A₁	1536	1536	0.00
4	A₁	1173	1173	0.00
5	A₁	1032	1032	0.00
6	A₁	171	171	0.00
7	A₂	1260	1260	0.00
8	A₂	970	970	0.00
9	B₁	1264	1264	0.00
10	B₁	1190	1190	0.00
11	B₁	967	967	0.00
12	B₂	3134	3134	160.03
13	B₂	3059	3059	15.74
14	B₂	1492	1492	3.62
15	B₂	882	882	0.00
16	B₂	627	627	2.52
17	E	3115	3115	28.49
17	E	3115	3115	28.49
18	E	3063	3063	112.49
18	E	3063	3063	112.49
19	E	1491	1491	0.66
19	E	1491	1491	0.66
20	E	1303	1303	1.92
20	E	1303	1303	1.92
21	E	1256	1256	0.05
21	E	1256	1256	0.05
22	E	931	931	3.60
22	E	931	931	3.60
23	E	748	748	0.38
23	E	748	748	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.088	0.124
C2	0.000	-1.088	0.124
C3	-1.088	0.000	-0.124
C4	1.088	0.000	-0.124
H5	0.000	1.426	1.168
H6	0.000	1.968	-0.529
H7	0.000	-1.426	1.168
H8	0.000	-1.968	-0.529
H9	-1.426	0.000	-1.168
H10	-1.968	0.000	0.529
H11	1.426	0.000	-1.168
H12	1.968	0.000	0.529

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1763	1.5589	1.5589	1.0965	1.0956	2.7220	3.1250	2.2106	2.2847	2.2106	2.2847
C2	2.1763		1.5589	1.5589	2.7220	3.1250	1.0965	1.0956	2.2106	2.2847	2.2106	2.2847
C3	1.5589	1.5589		2.1763	2.2106	2.2847	2.2106	2.2847	1.0965	1.0956	2.7220	3.1250
C4	1.5589	1.5589	2.1763		2.2106	2.2847	2.2106	2.2847	2.7220	3.1250	1.0965	1.0956
H5	1.0965	2.7220	2.2106	2.2106		1.7807	2.8519	3.7941	3.0855	2.5128	3.0855	2.5128
H6	1.0956	3.1250	2.2847	2.2847	1.7807		3.7941	3.9357	2.5128	2.9770	2.5128	2.9770
H7	2.7220	1.0965	2.2106	2.2106	2.8519	3.7941		1.7807	3.0855	2.5128	3.0855	2.5128
H8	3.1250	1.0956	2.2847	2.2847	3.7941	3.9357	1.7807		2.5128	2.9770	2.5128	2.9770
H9	2.2106	2.2106	1.0965	2.7220	3.0855	2.5128	3.0855	2.5128		1.7807	2.8519	3.7941
H10	2.2847	2.2847	1.0956	3.1250	2.5128	2.9770	2.5128	2.9770	1.7807		3.7941	3.9357
H11	2.2106	2.2106	2.7220	1.0965	3.0855	2.5128	3.0855	2.5128	2.8519	3.7941		1.7807
H12	2.2847	2.2847	3.1250	1.0956	2.5128	2.9770	2.5128	2.9770	3.7941	3.9357	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.539	C1	C3	H9	111.527
C1	C3	H10	117.729	C1	C4	C2	88.539
C1	C4	H11	111.527	C1	C4	H12	117.729
C2	C3	H9	111.527	C2	C3	H10	117.729
C2	C4	H11	111.527	C2	C4	H12	117.729
C3	C1	C4	88.539	C3	C1	H5	111.527
C3	C1	H6	117.729	C3	C2	C4	88.539
C3	C2	H7	111.527	C3	C2	H8	117.729
C4	C1	H5	111.527	C4	C1	H6	117.729
C4	C2	H7	111.527	C4	C2	H8	117.729
H5	C1	H6	108.648	H7	C2	H8	108.648
H9	C3	H10	108.648	H11	C4	H12	108.648

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: wB97X-D/CEP-121G*

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	-0.337
2	C	-0.337
3	C	-0.337
4	C	-0.337
5	H	0.162
6	H	0.175
7	H	0.162
8	H	0.175
9	H	0.162
10	H	0.175
11	H	0.162
12	H	0.175

<r²>	65.952
(<r²>)^1/2	8.121

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)