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	hartrees
Energy at 0K	-156.308233
Energy at 298.15K	-156.317330
HF Energy	-156.308233
Nuclear repulsion energy	125.843131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3012	0.00
2	A₁	3100	2974	0.00
3	A₁	1556	1493	0.00
4	A₁	1173	1125	0.00
5	A₁	1000	960	0.00
6	A₁	185	177	0.00
7	A₂	1288	1236	0.00
8	A₂	1013	972	0.00
9	B₁	1283	1231	0.00
10	B₁	1179	1131	0.00
11	B₁	934	896	0.00
12	B₂	3173	3044	64.22
13	B₂	3091	2966	6.85
14	B₂	1528	1466	5.35
15	B₂	898	862	0.40
16	B₂	646	619	5.28
17	E	3154	3026	11.25
17	E	3154	3026	11.25
18	E	3092	2967	57.41
18	E	3092	2967	57.41
19	E	1521	1459	4.12
19	E	1521	1459	4.12
20	E	1307	1254	4.27
20	E	1307	1254	4.27
21	E	1261	1210	3.44
21	E	1261	1210	3.44
22	E	901	865	4.11
22	E	901	865	4.11
23	E	758	727	0.44
23	E	758	727	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.097	0.122
C2	0.000	-1.097	0.122
C3	-1.097	0.000	-0.122
C4	1.097	0.000	-0.122
H5	0.000	1.427	1.165
H6	0.000	1.963	-0.545
H7	0.000	-1.427	1.165
H8	0.000	-1.963	-0.545
H9	-1.427	0.000	-1.165
H10	-1.963	0.000	0.545
H11	1.427	0.000	-1.165
H12	1.963	0.000	0.545

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1947	1.5709	1.5709	1.0946	1.0925	2.7320	3.1319	2.2133	2.2882	2.2133	2.2882
C2	2.1947		1.5709	1.5709	2.7320	3.1319	1.0946	1.0925	2.2133	2.2882	2.2133	2.2882
C3	1.5709	1.5709		2.1947	2.2133	2.2882	2.2133	2.2882	1.0946	1.0925	2.7320	3.1319
C4	1.5709	1.5709	2.1947		2.2133	2.2882	2.2133	2.2882	2.7320	3.1319	1.0946	1.0925
H5	1.0946	2.7320	2.2133	2.2133		1.7923	2.8549	3.7972	3.0835	2.5050	3.0835	2.5050
H6	1.0925	3.1319	2.2882	2.2882	1.7923		3.7972	3.9255	2.5050	2.9821	2.5050	2.9821
H7	2.7320	1.0946	2.2133	2.2133	2.8549	3.7972		1.7923	3.0835	2.5050	3.0835	2.5050
H8	3.1319	1.0925	2.2882	2.2882	3.7972	3.9255	1.7923		2.5050	2.9821	2.5050	2.9821
H9	2.2133	2.2133	1.0946	2.7320	3.0835	2.5050	3.0835	2.5050		1.7923	2.8549	3.7972
H10	2.2882	2.2882	1.0925	3.1319	2.5050	2.9821	2.5050	2.9821	1.7923		3.7972	3.9255
H11	2.2133	2.2133	2.7320	1.0946	3.0835	2.5050	3.0835	2.5050	2.8549	3.7972		1.7923
H12	2.2882	2.2882	3.1319	1.0925	2.5050	2.9821	2.5050	2.9821	3.7972	3.9255	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.622	C1	C3	H9	111.011
C1	C3	H10	117.301	C1	C4	C2	88.622
C1	C4	H11	111.011	C1	C4	H12	117.301
C2	C3	H9	111.011	C2	C3	H10	117.301
C2	C4	H11	111.011	C2	C4	H12	117.301
C3	C1	C4	88.622	C3	C1	H5	111.011
C3	C1	H6	117.301	C3	C2	C4	88.622
C3	C2	H7	111.011	C3	C2	H8	117.301
C4	C1	H5	111.011	C4	C1	H6	117.301
C4	C2	H7	111.011	C4	C2	H8	117.301
H5	C1	H6	110.063	H7	C2	H8	110.063
H9	C3	H10	110.063	H11	C4	H12	110.063

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3PW91/3-21G*

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	-0.424
2	C	-0.424
3	C	-0.424
4	C	-0.424
5	H	0.218
6	H	0.206
7	H	0.218
8	H	0.206
9	H	0.218
10	H	0.206
11	H	0.218
12	H	0.206

<r²>	75.950
(<r²>)^1/2	8.715

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)