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	hartrees
Energy at 0K	-156.750215
Energy at 298.15K	-156.759474
HF Energy	-156.110800
Nuclear repulsion energy	127.449712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	2979	0.00
2	A₁	3156	2940	0.00
3	A₁	1583	1475	0.00
4	A₁	1219	1135	0.00
5	A₁	1055	983	0.00
6	A₁	242	225	0.00
7	A₂	1290	1202	0.00
8	A₂	978	911	0.00
9	B₁	1300	1211	0.00
10	B₁	1199	1117	0.00
11	B₁	976	909	0.00
12	B₂	3224	3004	98.86
13	B₂	3148	2932	16.45
14	B₂	1546	1440	4.20
15	B₂	935	871	0.11
16	B₂	645	601	1.56
17	E	3209	2989	25.17
17	E	3209	2989	25.17
18	E	3149	2934	73.49
18	E	3149	2934	73.49
19	E	1543	1437	0.23
19	E	1543	1437	0.23
20	E	1340	1248	1.83
20	E	1340	1248	1.83
21	E	1279	1192	0.08
21	E	1279	1192	0.08
22	E	947	882	3.10
22	E	947	882	3.10
23	E	781	727	0.32
23	E	781	727	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.097	0.008
C2	0.000	-1.097	0.008
C3	-1.097	0.000	-0.008
C4	1.097	0.000	-0.008
H5	0.000	1.723	0.898
H6	0.000	1.752	-0.861
H7	0.000	-1.723	0.898
H8	0.000	-1.752	-0.861
H9	-1.723	0.000	-0.898
H10	-1.752	0.000	0.861
H11	1.723	0.000	-0.898
H12	1.752	0.000	0.861

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1935	1.5511	1.5511	1.0884	1.0881	2.9571	2.9779	2.2349	2.2354	2.2349	2.2354
C2	2.1935		1.5511	1.5511	2.9571	2.9779	1.0884	1.0881	2.2349	2.2354	2.2349	2.2354
C3	1.5511	1.5511		2.1935	2.2349	2.2354	2.2349	2.2354	1.0884	1.0881	2.9571	2.9779
C4	1.5511	1.5511	2.1935		2.2349	2.2354	2.2349	2.2354	2.9571	2.9779	1.0884	1.0881
H5	1.0884	2.9571	2.2349	2.2349		1.7593	3.4465	3.8947	3.0279	2.4574	3.0279	2.4574
H6	1.0881	2.9779	2.2354	2.2354	1.7593		3.8947	3.5030	2.4574	3.0163	2.4574	3.0163
H7	2.9571	1.0884	2.2349	2.2349	3.4465	3.8947		1.7593	3.0279	2.4574	3.0279	2.4574
H8	2.9779	1.0881	2.2354	2.2354	3.8947	3.5030	1.7593		2.4574	3.0163	2.4574	3.0163
H9	2.2349	2.2349	1.0884	2.9571	3.0279	2.4574	3.0279	2.4574		1.7593	3.4465	3.8947
H10	2.2354	2.2354	1.0881	2.9779	2.4574	3.0163	2.4574	3.0163	1.7593		3.8947	3.5030
H11	2.2349	2.2349	2.9571	1.0884	3.0279	2.4574	3.0279	2.4574	3.4465	3.8947		1.7593
H12	2.2354	2.2354	2.9779	1.0881	2.4574	3.0163	2.4574	3.0163	3.8947	3.5030	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.993	C1	C3	H9	114.576
C1	C3	H10	114.633	C1	C4	C2	89.993
C1	C4	H11	114.576	C1	C4	H12	114.633
C2	C3	H9	114.576	C2	C3	H10	114.633
C2	C4	H11	114.576	C2	C4	H12	114.633
C3	C1	C4	89.993	C3	C1	H5	114.576
C3	C1	H6	114.633	C3	C2	C4	89.993
C3	C2	H7	114.576	C3	C2	H8	114.633
C4	C1	H5	114.576	C4	C1	H6	114.633
C4	C2	H7	114.576	C4	C2	H8	114.633
H5	C1	H6	107.860	H7	C2	H8	107.860
H9	C3	H10	107.860	H11	C4	H12	107.860

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: MP3=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)