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	hartrees
Energy at 0K	-156.261729
Energy at 298.15K	-156.270849
HF Energy	-156.261729
Nuclear repulsion energy	126.278314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3017	0.00
2	A₁	3108	2974	0.00
3	A₁	1554	1487	0.00
4	A₁	1174	1123	0.00
5	A₁	1007	963	0.00
6	A₁	195	187	0.00
7	A₂	1287	1231	0.00
8	A₂	1008	965	0.00
9	B₁	1283	1227	0.00
10	B₁	1173	1122	0.00
11	B₁	937	896	0.00
12	B₂	3185	3047	60.42
13	B₂	3102	2968	9.07
14	B₂	1527	1461	6.38
15	B₂	906	867	0.25
16	B₂	631	604	4.73
17	E	3167	3029	14.83
17	E	3167	3029	14.83
18	E	3102	2968	51.46
18	E	3102	2968	51.46
19	E	1519	1453	3.89
19	E	1519	1453	3.89
20	E	1309	1252	4.24
20	E	1309	1252	4.24
21	E	1260	1205	3.42
21	E	1260	1205	3.42
22	E	906	867	4.18
22	E	906	867	4.18
23	E	757	724	0.53
23	E	757	724	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.091	0.133
C2	0.000	-1.091	0.133
C3	-1.091	0.000	-0.133
C4	1.091	0.000	-0.133
H5	0.000	1.390	1.184
H6	0.000	1.973	-0.509
H7	0.000	-1.390	1.184
H8	0.000	-1.973	-0.509
H9	-1.390	0.000	-1.184
H10	-1.973	0.000	0.509
H11	1.390	0.000	-1.184
H12	1.973	0.000	0.509

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1828	1.5662	1.5662	1.0924	1.0900	2.6946	3.1305	2.2038	2.2855	2.2038	2.2855
C2	2.1828		1.5662	1.5662	2.6946	3.1305	1.0924	1.0900	2.2038	2.2855	2.2038	2.2855
C3	1.5662	1.5662		2.1828	2.2038	2.2855	2.2038	2.2855	1.0924	1.0900	2.6946	3.1305
C4	1.5662	1.5662	2.1828		2.2038	2.2855	2.2038	2.2855	2.6946	3.1305	1.0924	1.0900
H5	1.0924	2.6946	2.2038	2.2038		1.7899	2.7797	3.7644	3.0772	2.5058	3.0772	2.5058
H6	1.0900	3.1305	2.2855	2.2855	1.7899		3.7644	3.9452	2.5058	2.9693	2.5058	2.9693
H7	2.6946	1.0924	2.2038	2.2038	2.7797	3.7644		1.7899	3.0772	2.5058	3.0772	2.5058
H8	3.1305	1.0900	2.2855	2.2855	3.7644	3.9452	1.7899		2.5058	2.9693	2.5058	2.9693
H9	2.2038	2.2038	1.0924	2.6946	3.0772	2.5058	3.0772	2.5058		1.7899	2.7797	3.7644
H10	2.2855	2.2855	1.0900	3.1305	2.5058	2.9693	2.5058	2.9693	1.7899		3.7644	3.9452
H11	2.2038	2.2038	2.6946	1.0924	3.0772	2.5058	3.0772	2.5058	2.7797	3.7644		1.7899
H12	2.2855	2.2855	3.1305	1.0900	2.5058	2.9693	2.5058	2.9693	3.7644	3.9452	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.347	C1	C3	H9	110.717
C1	C3	H10	117.605	C1	C4	C2	88.347
C1	C4	H11	110.717	C1	C4	H12	117.605
C2	C3	H9	110.717	C2	C3	H10	117.605
C2	C4	H11	110.717	C2	C4	H12	117.605
C3	C1	C4	88.347	C3	C1	H5	110.717
C3	C1	H6	117.605	C3	C2	C4	88.347
C3	C2	H7	110.717	C3	C2	H8	117.605
C4	C1	H5	110.717	C4	C1	H6	117.605
C4	C2	H7	110.717	C4	C2	H8	117.605
H5	C1	H6	110.203	H7	C2	H8	110.203
H9	C3	H10	110.203	H11	C4	H12	110.203

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B1B95/3-21G

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	-0.418
2	C	-0.418
3	C	-0.418
4	C	-0.418
5	H	0.215
6	H	0.203
7	H	0.215
8	H	0.203
9	H	0.215
10	H	0.203
11	H	0.215
12	H	0.203

<r²>	75.457
(<r²>)^1/2	8.687

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)