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	hartrees
Energy at 0K	-154.899623
Energy at 298.15K	-154.906089
HF Energy	-154.899623
Nuclear repulsion energy	113.834078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3404	3058	25.82
2	A₁	3223	2896	59.83
3	A₁	1804	1621	1.15
4	A₁	1649	1482	0.42
5	A₁	1369	1230	0.24
6	A₁	1229	1104	0.02
7	A₁	1077	967	0.42
8	A₁	965	867	1.53
9	A₂	3248	2919	0.00
10	A₂	1296	1165	0.00
11	A₂	1156	1039	0.00
12	A₂	1053	946	0.00
13	A₂	348	313	0.00
14	B₁	3266	2934	90.29
15	B₁	1213	1090	8.22
16	B₁	953	856	20.59
17	B₁	727	653	43.86
18	B₂	3370	3028	19.49
19	B₂	3212	2886	67.21
20	B₂	1623	1458	0.65
21	B₂	1463	1315	13.77
22	B₂	1372	1233	3.17
23	B₂	972	873	13.37
24	B₂	935	840	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.661	0.812
C2	0.000	-0.661	0.812
C3	0.000	0.781	-0.698
C4	0.000	-0.781	-0.698
H5	0.000	1.401	1.592
H6	0.000	-1.401	1.592
H7	0.882	1.238	-1.137
H8	-0.882	-1.238	-1.137
H9	-0.882	1.238	-1.137
H10	0.882	-1.238	-1.137

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3223	1.5150	2.0883	1.0753	2.2050	2.2151	2.8603	2.2151	2.8603
C2	1.3223		2.0883	1.5150	2.2050	1.0753	2.8603	2.2151	2.8603	2.2151
C3	1.5150	2.0883		1.5624	2.3727	3.1636	1.0856	2.2466	1.0856	2.2466
C4	2.0883	1.5150	1.5624		3.1636	2.3727	2.2466	1.0856	2.2466	1.0856
H5	1.0753	2.2050	2.3727	3.1636		2.8025	2.8721	3.8973	2.8721	3.8973
H6	2.2050	1.0753	3.1636	2.3727	2.8025		3.8973	2.8721	3.8973	2.8721
H7	2.2151	2.8603	1.0856	2.2466	2.8721	3.8973		3.0402	1.7636	2.4764
H8	2.8603	2.2151	2.2466	1.0856	3.8973	2.8721	3.0402		2.4764	1.7636
H9	2.2151	2.8603	1.0856	2.2466	2.8721	3.8973	1.7636	2.4764		3.0402
H10	2.8603	2.2151	2.2466	1.0856	3.8973	2.8721	2.4764	1.7636	3.0402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.544	C1	C2	H6	133.493
C1	C3	C4	85.456	C1	C3	H7	115.834
C1	C3	H9	115.834	C2	C1	C3	94.544
C2	C1	H5	133.493	C2	C4	C3	85.456
C2	C4	H8	115.834	C2	C4	H10	115.834
C3	C1	H5	131.963	C3	C4	H8	114.897
C3	C4	H10	114.897	C4	C2	H6	131.963
C4	C3	H7	114.897	C4	C3	H9	114.897
H7	C3	H9	108.641	H8	C4	H10	108.641

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HF/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	-0.177
2	C	-0.177
3	C	-0.341
4	C	-0.341
5	H	0.183
6	H	0.183
7	H	0.167
8	H	0.167
9	H	0.167
10	H	0.167

	x	z	Total
	0.000	-0.029	0.029
CHELPG	0.000	-0.029	0.029
AIM	0.000	0.103	0.103
ESP	0.008	-0.073	0.073

	x	y	z
x	3.963	0.000	0.000
y	0.000	6.906	-0.005
z	0.000	-0.005	5.719

<r²>	65.287
(<r²>)^1/2	8.080

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)