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	hartrees
Energy at 0K	-156.674819
Energy at 298.15K	-156.684066
HF Energy	-156.096606
Nuclear repulsion energy	127.218593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	2970	0.00
2	A₁	3127	2934	0.00
3	A₁	1589	1491	0.00
4	A₁	1224	1149	0.00
5	A₁	1062	997	0.00
6	A₁	234	220	0.00
7	A₂	1293	1213	0.00
8	A₂	991	930	0.00
9	B₁	1308	1227	0.00
10	B₁	1208	1133	0.00
11	B₁	984	924	0.00
12	B₂	3191	2994	86.52
13	B₂	3121	2928	11.16
14	B₂	1554	1458	4.75
15	B₂	935	877	0.03
16	B₂	652	612	2.46
17	E	3176	2980	20.37
17	E	3176	2980	20.37
18	E	3121	2928	61.28
18	E	3121	2928	61.28
19	E	1549	1454	0.56
19	E	1549	1454	0.56
20	E	1344	1261	1.50
20	E	1344	1261	1.50
21	E	1288	1209	0.22
21	E	1288	1209	0.22
22	E	954	895	3.00
22	E	954	895	3.00
23	E	785	737	0.55
23	E	785	737	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.097	0.007
C2	0.000	-1.097	0.007
C3	-1.097	0.000	-0.007
C4	1.097	0.000	-0.007
H5	0.000	1.729	0.900
H6	0.000	1.754	-0.868
H7	0.000	-1.729	0.900
H8	0.000	-1.754	-0.868
H9	-1.729	0.000	-0.900
H10	-1.754	0.000	0.868
H11	1.729	0.000	-0.900
H12	1.754	0.000	0.868

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1937	1.5512	1.5512	1.0942	1.0939	2.9639	2.9816	2.2397	2.2402	2.2397	2.2402
C2	2.1937		1.5512	1.5512	2.9639	2.9816	1.0942	1.0939	2.2397	2.2402	2.2397	2.2402
C3	1.5512	1.5512		2.1937	2.2397	2.2402	2.2397	2.2402	1.0942	1.0939	2.9639	2.9816
C4	1.5512	1.5512	2.1937		2.2397	2.2402	2.2397	2.2402	2.9639	2.9816	1.0942	1.0939
H5	1.0942	2.9639	2.2397	2.2397		1.7678	3.4588	3.9058	3.0365	2.4631	3.0365	2.4631
H6	1.0939	2.9816	2.2402	2.2402	1.7678		3.9058	3.5070	2.4631	3.0268	2.4631	3.0268
H7	2.9639	1.0942	2.2397	2.2397	3.4588	3.9058		1.7678	3.0365	2.4631	3.0365	2.4631
H8	2.9816	1.0939	2.2402	2.2402	3.9058	3.5070	1.7678		2.4631	3.0268	2.4631	3.0268
H9	2.2397	2.2397	1.0942	2.9639	3.0365	2.4631	3.0365	2.4631		1.7678	3.4588	3.9058
H10	2.2402	2.2402	1.0939	2.9816	2.4631	3.0268	2.4631	3.0268	1.7678		3.9058	3.5070
H11	2.2397	2.2397	2.9639	1.0942	3.0365	2.4631	3.0365	2.4631	3.4588	3.9058		1.7678
H12	2.2402	2.2402	2.9816	1.0939	2.4631	3.0268	2.4631	3.0268	3.9058	3.5070	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.995	C1	C3	H9	114.597
C1	C3	H10	114.656	C1	C4	C2	89.995
C1	C4	H11	114.597	C1	C4	H12	114.656
C2	C3	H9	114.597	C2	C3	H10	114.656
C2	C4	H11	114.597	C2	C4	H12	114.656
C3	C1	C4	89.995	C3	C1	H5	114.597
C3	C1	H6	114.656	C3	C2	C4	89.995
C3	C2	H7	114.597	C3	C2	H8	114.656
C4	C1	H5	114.597	C4	C1	H6	114.656
C4	C2	H7	114.597	C4	C2	H8	114.656
H5	C1	H6	107.787	H7	C2	H8	107.787
H9	C3	H10	107.787	H11	C4	H12	107.787

All results from a given calculation for C₄H₈ (cyclobutane)

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

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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All results from a given calculation for C4H8 (cyclobutane)

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

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)