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	hartrees
Energy at 0K	-155.919976
Energy at 298.15K	-155.926141
HF Energy	-155.919976
Nuclear repulsion energy	112.856899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3098	29.35
2	A₁	2987	2944	57.42
3	A₁	1592	1569	1.76
4	A₁	1458	1437	0.23
5	A₁	1183	1166	2.26
6	A₁	1109	1093	0.04
7	A₁	979	965	0.09
8	A₁	861	848	1.35
9	A₂	3021	2977	0.00
10	A₂	1142	1126	0.00
11	A₂	1016	1002	0.00
12	A₂	906	893	0.00
13	A₂	314	310	0.00
14	B₁	3035	2992	59.60
15	B₁	1076	1061	6.16
16	B₁	851	839	15.92
17	B₁	630	621	53.30
18	B₂	3112	3067	21.57
19	B₂	2983	2940	53.92
20	B₂	1440	1419	0.46
21	B₂	1286	1268	13.20
22	B₂	1207	1190	4.88
23	B₂	874	862	14.25
24	B₂	860	847	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.815
C2	0.000	-0.672	0.815
C3	0.000	0.788	-0.701
C4	0.000	-0.788	-0.701
H5	0.000	1.421	1.603
H6	0.000	-1.421	1.603
H7	0.892	1.247	-1.146
H8	-0.892	-1.247	-1.146
H9	-0.892	1.247	-1.146
H10	0.892	-1.247	-1.146

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3436	1.5201	2.1043	1.0878	2.2368	2.2295	2.8849	2.2295	2.8849
C2	1.3436		2.1043	1.5201	2.2368	1.0878	2.8849	2.2295	2.8849	2.2295
C3	1.5201	2.1043		1.5758	2.3895	3.1921	1.0973	2.2661	1.0973	2.2661
C4	2.1043	1.5201	1.5758		3.1921	2.3895	2.2661	1.0973	2.2661	1.0973
H5	1.0878	2.2368	2.3895	3.1921		2.8429	2.8952	3.9338	2.8952	3.9338
H6	2.2368	1.0878	3.1921	2.3895	2.8429		3.9338	2.8952	3.9338	2.8952
H7	2.2295	2.8849	1.0973	2.2661	2.8952	3.9338		3.0664	1.7831	2.4947
H8	2.8849	2.2295	2.2661	1.0973	3.9338	2.8952	3.0664		2.4947	1.7831
H9	2.2295	2.8849	1.0973	2.2661	2.8952	3.9338	1.7831	2.4947		3.0664
H10	2.8849	2.2295	2.2661	1.0973	3.9338	2.8952	2.4947	1.7831	3.0664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.379	C1	C2	H6	133.560
C1	C3	C4	85.621	C1	C3	H7	115.873
C1	C3	H9	115.873	C2	C1	C3	94.379
C2	C1	H5	133.560	C2	C4	C3	85.621
C2	C4	H8	115.873	C2	C4	H10	115.873
C3	C1	H5	132.061	C3	C4	H8	114.753
C3	C4	H10	114.753	C4	C2	H6	132.061
C4	C3	H7	114.753	C4	C3	H9	114.753
H7	C3	H9	108.685	H8	C4	H10	108.685

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B97D3/TZVP

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	-0.121
2	C	-0.121
3	C	-0.202
4	C	-0.202
5	H	0.100
6	H	0.100
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111

<r²>	66.244
(<r²>)^1/2	8.139

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)