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	hartrees
Energy at 0K	-154.958370
Energy at 298.15K	-154.964838
HF Energy	-154.958370
Nuclear repulsion energy	114.008672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3355	3041	20.19
2	A₁	3182	2884	64.81
3	A₁	1770	1605	2.20
4	A₁	1618	1467	0.00
5	A₁	1348	1222	1.05
6	A₁	1216	1102	0.26
7	A₁	1064	964	0.50
8	A₁	952	863	1.31
9	A₂	3205	2905	0.00
10	A₂	1281	1161	0.00
11	A₂	1146	1039	0.00
12	A₂	1052	954	0.00
13	A₂	350	317	0.00
14	B₁	3223	2921	75.36
15	B₁	1198	1086	11.22
16	B₁	943	855	23.79
17	B₁	719	652	49.34
18	B₂	3321	3011	16.72
19	B₂	3172	2875	65.72
20	B₂	1594	1445	0.01
21	B₂	1447	1312	15.65
22	B₂	1359	1232	2.69
23	B₂	957	868	15.94
24	B₂	932	845	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.658	0.810
C2	0.000	-0.658	0.810
C3	0.000	0.778	-0.697
C4	0.000	-0.778	-0.697
H5	0.000	1.393	1.591
H6	0.000	-1.393	1.591
H7	0.880	1.234	-1.134
H8	-0.880	-1.234	-1.134
H9	-0.880	1.234	-1.134
H10	0.880	-1.234	-1.134

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3167	1.5119	2.0822	1.0719	2.1946	2.2103	2.8524	2.2103	2.8524
C2	1.3167		2.0822	1.5119	2.1946	1.0719	2.8524	2.2103	2.8524	2.2103
C3	1.5119	2.0822		1.5566	2.3692	3.1541	1.0832	2.2397	1.0832	2.2397
C4	2.0822	1.5119	1.5566		3.1541	2.3692	2.2397	1.0832	2.2397	1.0832
H5	1.0719	2.1946	2.3692	3.1541		2.7852	2.8679	3.8860	2.8679	3.8860
H6	2.1946	1.0719	3.1541	2.3692	2.7852		3.8860	2.8679	3.8860	2.8679
H7	2.2103	2.8524	1.0832	2.2397	2.8679	3.8860		3.0320	1.7600	2.4690
H8	2.8524	2.2103	2.2397	1.0832	3.8860	2.8679	3.0320		2.4690	1.7600
H9	2.2103	2.8524	1.0832	2.2397	2.8679	3.8860	1.7600	2.4690		3.0320
H10	2.8524	2.2103	2.2397	1.0832	3.8860	2.8679	2.4690	1.7600	3.0320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.550	C1	C2	H6	133.231
C1	C3	C4	85.450	C1	C3	H7	115.811
C1	C3	H9	115.811	C2	C1	C3	94.550
C2	C1	H5	133.231	C2	C4	C3	85.450
C2	C4	H8	115.811	C2	C4	H10	115.811
C3	C1	H5	132.219	C3	C4	H8	114.907
C3	C4	H10	114.907	C4	C2	H6	132.219
C4	C3	H7	114.907	C4	C3	H9	114.907
H7	C3	H9	108.664	H8	C4	H10	108.664

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HF/Def2TZVPP

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	-0.135
2	C	-0.135
3	C	-0.046
4	C	-0.046
5	H	0.092
6	H	0.092
7	H	0.045
8	H	0.045
9	H	0.045
10	H	0.045

<r²>	65.287
(<r²>)^1/2	8.080

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)