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	hartrees
Energy at 0K	-27.331453
Energy at 298.15K	-27.340496
Nuclear repulsion energy	71.294484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3001	0.00
2	A₁	3101	2968	0.00
3	A₁	1518	1453	0.00
4	A₁	1120	1072	0.00
5	A₁	1046	1001	0.00
6	A₁	201	193	0.00
7	A₂	1232	1179	0.00
8	A₂	952	911	0.00
9	B₁	1248	1194	0.00
10	B₁	1163	1113	0.00
11	B₁	971	929	0.00
12	B₂	3172	3037	150.72
13	B₂	3089	2956	12.00
14	B₂	1470	1407	7.61
15	B₂	877	840	0.70
16	B₂	598	573	5.57
17	E	3153	3018	14.69
17	E	3153	3018	14.69
18	E	3091	2959	91.59
18	E	3091	2959	91.59
19	E	1470	1407	0.60
19	E	1470	1407	0.60
20	E	1285	1230	3.15
20	E	1285	1230	3.15
21	E	1238	1185	0.27
21	E	1238	1185	0.27
22	E	936	896	6.90
22	E	936	896	6.90
23	E	733	702	2.32
23	E	733	702	2.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.084	0.143
C2	0.000	-1.084	0.143
C3	-1.084	0.000	-0.143
C4	1.084	0.000	-0.143
H5	0.000	1.369	1.207
H6	0.000	1.996	-0.472
H7	0.000	-1.369	1.207
H8	0.000	-1.996	-0.472
H9	-1.369	0.000	-1.207
H10	-1.996	0.000	0.472
H11	1.369	0.000	-1.207
H12	1.996	0.000	0.472

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1674	1.5590	1.5590	1.1016	1.1003	2.6739	3.1405	2.2072	2.2949	2.2072	2.2949
C2	2.1674		1.5590	1.5590	2.6739	3.1405	1.1016	1.1003	2.2072	2.2949	2.2072	2.2949
C3	1.5590	1.5590		2.1674	2.2072	2.2949	2.2072	2.2949	1.1016	1.1003	2.6739	3.1405
C4	1.5590	1.5590	2.1674		2.2072	2.2949	2.2072	2.2949	2.6739	3.1405	1.1016	1.1003
H5	1.1016	2.6739	2.2072	2.2072		1.7923	2.7387	3.7610	3.0946	2.5295	3.0946	2.5295
H6	1.1003	3.1405	2.2949	2.2949	1.7923		3.7610	3.9918	2.5295	2.9765	2.5295	2.9765
H7	2.6739	1.1016	2.2072	2.2072	2.7387	3.7610		1.7923	3.0946	2.5295	3.0946	2.5295
H8	3.1405	1.1003	2.2949	2.2949	3.7610	3.9918	1.7923		2.5295	2.9765	2.5295	2.9765
H9	2.2072	2.2072	1.1016	2.6739	3.0946	2.5295	3.0946	2.5295		1.7923	2.7387	3.7610
H10	2.2949	2.2949	1.1003	3.1405	2.5295	2.9765	2.5295	2.9765	1.7923		3.7610	3.9918
H11	2.2072	2.2072	2.6739	1.1016	3.0946	2.5295	3.0946	2.5295	2.7387	3.7610		1.7923
H12	2.2949	2.2949	3.1405	1.1003	2.5295	2.9765	2.5295	2.9765	3.7610	3.9918	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.073	C1	C3	H9	110.937
C1	C3	H10	118.276	C1	C4	C2	88.073
C1	C4	H11	110.937	C1	C4	H12	118.276
C2	C3	H9	110.937	C2	C3	H10	118.276
C2	C4	H11	110.937	C2	C4	H12	118.276
C3	C1	C4	88.073	C3	C1	H5	110.937
C3	C1	H6	118.276	C3	C2	C4	88.073
C3	C2	H7	110.937	C3	C2	H8	118.276
C4	C1	H5	110.937	C4	C1	H6	118.276
C4	C2	H7	110.937	C4	C2	H8	118.276
H5	C1	H6	108.974	H7	C2	H8	108.974
H9	C3	H10	108.974	H11	C4	H12	108.974

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B1B95/CEP-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	-0.300
2	C	-0.300
3	C	-0.300
4	C	-0.300
5	H	0.114
6	H	0.186
7	H	0.114
8	H	0.186
9	H	0.114
10	H	0.186
11	H	0.114
12	H	0.186

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)