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	hartrees
Energy at 0K	-156.845404
Energy at 298.15K	-156.854636
HF Energy	-156.116816
Nuclear repulsion energy	127.549321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3196	0.00
2	A₁	3153	3153	0.00
3	A₁	1569	1569	0.00
4	A₁	1212	1212	0.00
5	A₁	1061	1061	0.00
6	A₁	219	219	0.00
7	A₂	1290	1290	0.00
8	A₂	997	997	0.00
9	B₁	1307	1307	0.00
10	B₁	1206	1206	0.00
11	B₁	984	984	0.00
12	B₂	3222	3222	65.13
13	B₂	3146	3146	8.54
14	B₂	1534	1534	3.93
15	B₂	924	924	0.04
16	B₂	638	638	2.59
17	E	3207	3207	14.50
17	E	3207	3207	14.50
18	E	3147	3147	54.10
18	E	3147	3147	54.10
19	E	1528	1528	0.34
19	E	1528	1528	0.34
20	E	1332	1332	0.95
20	E	1332	1332	0.95
21	E	1295	1295	0.28
21	E	1295	1295	0.28
22	E	953	953	2.42
22	E	953	953	2.42
23	E	777	777	0.50
23	E	777	777	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.075	0.139
C2	0.000	-1.075	0.139
C3	-1.075	0.000	-0.139
C4	1.075	0.000	-0.139
H5	0.000	1.365	1.188
H6	0.000	1.971	-0.476
H7	0.000	-1.365	1.188
H8	0.000	-1.971	-0.476
H9	-1.365	0.000	-1.188
H10	-1.971	0.000	0.476
H11	1.365	0.000	-1.188
H12	1.971	0.000	0.476

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1508	1.5461	1.5461	1.0883	1.0868	2.6562	3.1081	2.1866	2.2706	2.1866	2.2706
C2	2.1508		1.5461	1.5461	2.6562	3.1081	1.0883	1.0868	2.1866	2.2706	2.1866	2.2706
C3	1.5461	1.5461		2.1508	2.1866	2.2706	2.1866	2.2706	1.0883	1.0868	2.6562	3.1081
C4	1.5461	1.5461	2.1508		2.1866	2.2706	2.1866	2.2706	2.6562	3.1081	1.0883	1.0868
H5	1.0883	2.6562	2.1866	2.1866		1.7716	2.7297	3.7282	3.0616	2.5010	3.0616	2.5010
H6	1.0868	3.1081	2.2706	2.2706	1.7716		3.7282	3.9423	2.5010	2.9459	2.5010	2.9459
H7	2.6562	1.0883	2.1866	2.1866	2.7297	3.7282		1.7716	3.0616	2.5010	3.0616	2.5010
H8	3.1081	1.0868	2.2706	2.2706	3.7282	3.9423	1.7716		2.5010	2.9459	2.5010	2.9459
H9	2.1866	2.1866	1.0883	2.6562	3.0616	2.5010	3.0616	2.5010		1.7716	2.7297	3.7282
H10	2.2706	2.2706	1.0868	3.1081	2.5010	2.9459	2.5010	2.9459	1.7716		3.7282	3.9423
H11	2.1866	2.1866	2.6562	1.0883	3.0616	2.5010	3.0616	2.5010	2.7297	3.7282		1.7716
H12	2.2706	2.2706	3.1081	1.0868	2.5010	2.9459	2.5010	2.9459	3.7282	3.9423	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.144	C1	C3	H9	111.006
C1	C3	H10	118.122	C1	C4	C2	88.144
C1	C4	H11	111.006	C1	C4	H12	118.122
C2	C3	H9	111.006	C2	C3	H10	118.122
C2	C4	H11	111.006	C2	C4	H12	118.122
C3	C1	C4	88.144	C3	C1	H5	111.006
C3	C1	H6	118.122	C3	C2	C4	88.144
C3	C2	H7	111.006	C3	C2	H8	118.122
C4	C1	H5	111.006	C4	C1	H6	118.122
C4	C2	H7	111.006	C4	C2	H8	118.122
H5	C1	H6	109.070	H7	C2	H8	109.070
H9	C3	H10	109.070	H11	C4	H12	109.070

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: MP3=FULL/6-31G(2df,p)

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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All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)