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	hartrees
Energy at 0K	-157.170605
Energy at 298.15K	-157.179734
HF Energy	-157.170605
Nuclear repulsion energy	127.128633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3114	2985	0.00
2	A₁	3079	2951	0.00
3	A₁	1532	1468	0.00
4	A₁	1178	1129	0.00
5	A₁	1036	993	0.00
6	A₁	205	196	0.00
7	A₂	1256	1204	0.00
8	A₂	969	929	0.00
9	B₁	1268	1215	0.00
10	B₁	1177	1128	0.00
11	B₁	965	925	0.00
12	B₂	3144	3014	94.84
13	B₂	3070	2943	9.42
14	B₂	1496	1434	3.91
15	B₂	893	856	0.01
16	B₂	633	606	3.76
17	E	3128	2998	17.92
17	E	3128	2998	17.92
18	E	3071	2944	78.85
18	E	3071	2944	78.85
19	E	1489	1428	0.37
19	E	1489	1428	0.37
20	E	1299	1245	1.18
20	E	1299	1245	1.18
21	E	1257	1205	0.28
21	E	1257	1205	0.28
22	E	934	895	2.72
22	E	934	895	2.72
23	E	758	727	0.70
23	E	758	727	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.130
C2	0.000	-1.078	0.130
C3	-1.078	0.000	-0.130
C4	1.078	0.000	-0.130
H5	0.000	1.400	1.177
H6	0.000	1.970	-0.505
H7	0.000	-1.400	1.177
H8	0.000	-1.970	-0.505
H9	-1.400	0.000	-1.177
H10	-1.970	0.000	0.505
H11	1.400	0.000	-1.177
H12	1.970	0.000	0.505

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1569	1.5471	1.5471	1.0951	1.0942	2.6905	3.1134	2.1978	2.2766	2.1978	2.2766
C2	2.1569		1.5471	1.5471	2.6905	3.1134	1.0951	1.0942	2.1978	2.2766	2.1978	2.2766
C3	1.5471	1.5471		2.1569	2.1978	2.2766	2.1978	2.2766	1.0951	1.0942	2.6905	3.1134
C4	1.5471	1.5471	2.1569		2.1978	2.2766	2.1978	2.2766	2.6905	3.1134	1.0951	1.0942
H5	1.0951	2.6905	2.1978	2.1978		1.7756	2.8001	3.7660	3.0755	2.5080	3.0755	2.5080
H6	1.0942	3.1134	2.2766	2.2766	1.7756		3.7660	3.9390	2.5080	2.9629	2.5080	2.9629
H7	2.6905	1.0951	2.1978	2.1978	2.8001	3.7660		1.7756	3.0755	2.5080	3.0755	2.5080
H8	3.1134	1.0942	2.2766	2.2766	3.7660	3.9390	1.7756		2.5080	2.9629	2.5080	2.9629
H9	2.1978	2.1978	1.0951	2.6905	3.0755	2.5080	3.0755	2.5080		1.7756	2.8001	3.7660
H10	2.2766	2.2766	1.0942	3.1134	2.5080	2.9629	2.5080	2.9629	1.7756		3.7660	3.9390
H11	2.1978	2.1978	2.6905	1.0951	3.0755	2.5080	3.0755	2.5080	2.8001	3.7660		1.7756
H12	2.2766	2.2766	3.1134	1.0942	2.5080	2.9629	2.5080	2.9629	3.7660	3.9390	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.385	C1	C3	H9	111.419
C1	C3	H10	118.049	C1	C4	C2	88.385
C1	C4	H11	111.419	C1	C4	H12	118.049
C2	C3	H9	111.419	C2	C3	H10	118.049
C2	C4	H11	111.419	C2	C4	H12	118.049
C3	C1	C4	88.385	C3	C1	H5	111.419
C3	C1	H6	118.049	C3	C2	C4	88.385
C3	C2	H7	111.419	C3	C2	H8	118.049
C4	C1	H5	111.419	C4	C1	H6	118.049
C4	C2	H7	111.419	C4	C2	H8	118.049
H5	C1	H6	108.398	H7	C2	H8	108.398
H9	C3	H10	108.398	H11	C4	H12	108.398

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	C	-0.246
2	C	-0.246
3	C	-0.246
4	C	-0.246
5	H	0.127
6	H	0.119
7	H	0.127
8	H	0.119
9	H	0.127
10	H	0.119
11	H	0.127
12	H	0.119

<r²>	74.628
(<r²>)^1/2	8.639

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)