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	hartrees
Energy at 0K	-157.144233
Energy at 298.15K	-157.153323
HF Energy	-157.144233
Nuclear repulsion energy	126.085500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3162	0.00
2	A₁	3122	3122	0.00
3	A₁	1552	1552	0.00
4	A₁	1201	1201	0.00
5	A₁	1040	1040	0.00
6	A₁	139	139	0.00
7	A₂	1309	1309	0.00
8	A₂	993	993	0.00
9	B₁	1277	1277	0.00
10	B₁	1210	1210	0.00
11	B₁	1001	1001	0.00
12	B₂	3201	3201	158.61
13	B₂	3101	3101	11.17
14	B₂	1520	1520	4.58
15	B₂	878	878	2.04
16	B₂	673	673	7.39
17	E	3177	3177	14.58
17	E	3177	3177	14.58
18	E	3108	3108	109.73
18	E	3108	3108	109.73
19	E	1521	1521	6.61
19	E	1521	1521	6.61
20	E	1320	1320	7.31
20	E	1320	1320	7.31
21	E	1267	1267	0.19
21	E	1267	1267	0.19
22	E	948	948	8.87
22	E	948	948	8.87
23	E	782	782	0.49
23	E	782	782	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.096	0.101
C2	0.000	-1.096	0.101
C3	-1.096	0.000	-0.101
C4	1.096	0.000	-0.101
H5	0.000	1.498	1.119
H6	0.000	1.930	-0.605
H7	0.000	-1.498	1.119
H8	0.000	-1.930	-0.605
H9	-1.498	0.000	-1.119
H10	-1.930	0.000	0.605
H11	1.498	0.000	-1.119
H12	1.930	0.000	0.605

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1914	1.5627	1.5627	1.0941	1.0927	2.7860	3.1066	2.2208	2.2754	2.2208	2.2754
C2	2.1914		1.5627	1.5627	2.7860	3.1066	1.0941	1.0927	2.2208	2.2754	2.2208	2.2754
C3	1.5627	1.5627		2.1914	2.2208	2.2754	2.2208	2.2754	1.0941	1.0927	2.7860	3.1066
C4	1.5627	1.5627	2.1914		2.2208	2.2754	2.2208	2.2754	2.7860	3.1066	1.0941	1.0927
H5	1.0941	2.7860	2.2208	2.2208		1.7769	2.9957	3.8364	3.0811	2.4961	3.0811	2.4961
H6	1.0927	3.1066	2.2754	2.2754	1.7769		3.8364	3.8591	2.4961	2.9850	2.4961	2.9850
H7	2.7860	1.0941	2.2208	2.2208	2.9957	3.8364		1.7769	3.0811	2.4961	3.0811	2.4961
H8	3.1066	1.0927	2.2754	2.2754	3.8364	3.8591	1.7769		2.4961	2.9850	2.4961	2.9850
H9	2.2208	2.2208	1.0941	2.7860	3.0811	2.4961	3.0811	2.4961		1.7769	2.9957	3.8364
H10	2.2754	2.2754	1.0927	3.1066	2.4961	2.9850	2.4961	2.9850	1.7769		3.8364	3.8591
H11	2.2208	2.2208	2.7860	1.0941	3.0811	2.4961	3.0811	2.4961	2.9957	3.8364		1.7769
H12	2.2754	2.2754	3.1066	1.0927	2.4961	2.9850	2.4961	2.9850	3.8364	3.8591	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	89.040	C1	C3	H9	112.217
C1	C3	H10	116.836	C1	C4	C2	89.040
C1	C4	H11	112.217	C1	C4	H12	116.836
C2	C3	H9	112.217	C2	C3	H10	116.836
C2	C4	H11	112.217	C2	C4	H12	116.836
C3	C1	C4	89.040	C3	C1	H5	112.217
C3	C1	H6	116.836	C3	C2	C4	89.040
C3	C2	H7	112.217	C3	C2	H8	116.836
C4	C1	H5	112.217	C4	C1	H6	116.836
C4	C2	H7	112.217	C4	C2	H8	116.836
H5	C1	H6	108.692	H7	C2	H8	108.692
H9	C3	H10	108.692	H11	C4	H12	108.692

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: wB97X-D/SDD

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	-0.404
2	C	-0.404
3	C	-0.404
4	C	-0.404
5	H	0.200
6	H	0.204
7	H	0.200
8	H	0.204
9	H	0.200
10	H	0.204
11	H	0.200
12	H	0.204

<r²>	75.748
(<r²>)^1/2	8.703

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)