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	hartrees
Energy at 0K	-155.574582
Energy at 298.15K	-155.580849
HF Energy	-154.918084
Nuclear repulsion energy	113.593629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3090	15.64
2	A₁	3131	2942	29.30
3	A₁	1620	1523	0.43
4	A₁	1520	1429	0.04
5	A₁	1236	1161	1.81
6	A₁	1160	1090	0.03
7	A₁	1034	972	0.00
8	A₁	939	882	0.96
9	A₂	3185	2994	0.00
10	A₂	1208	1135	0.00
11	A₂	1051	988	0.00
12	A₂	950	893	0.00
13	A₂	305	287	0.00
14	B₁	3197	3005	29.18
15	B₁	1131	1063	4.15
16	B₁	892	839	13.01
17	B₁	659	620	37.16
18	B₂	3255	3060	8.23
19	B₂	3127	2939	26.47
20	B₂	1499	1409	0.27
21	B₂	1339	1258	11.53
22	B₂	1249	1174	1.90
23	B₂	938	881	11.82
24	B₂	861	810	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.810
C2	0.000	-0.671	0.810
C3	0.000	0.780	-0.696
C4	0.000	-0.780	-0.696
H5	0.000	1.417	1.592
H6	0.000	-1.417	1.592
H7	0.887	1.234	-1.137
H8	-0.887	-1.234	-1.137
H9	-0.887	1.234	-1.137
H10	0.887	-1.234	-1.137

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3424	1.5093	2.0910	1.0806	2.2296	2.2119	2.8646	2.2119	2.8646
C2	1.3424		2.0910	1.5093	2.2296	1.0806	2.8646	2.2119	2.8646	2.2119
C3	1.5093	2.0910		1.5601	2.3746	3.1716	1.0898	2.2447	1.0898	2.2447
C4	2.0910	1.5093	1.5601		3.1716	2.3746	2.2447	1.0898	2.2447	1.0898
H5	1.0806	2.2296	2.3746	3.1716		2.8333	2.8750	3.9064	2.8750	3.9064
H6	2.2296	1.0806	3.1716	2.3746	2.8333		3.9064	2.8750	3.9064	2.8750
H7	2.2119	2.8646	1.0898	2.2447	2.8750	3.9064		3.0398	1.7741	2.4684
H8	2.8646	2.2119	2.2447	1.0898	3.9064	2.8750	3.0398		2.4684	1.7741
H9	2.2119	2.8646	1.0898	2.2447	2.8750	3.9064	1.7741	2.4684		3.0398
H10	2.8646	2.2119	2.2447	1.0898	3.9064	2.8750	2.4684	1.7741	3.0398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.135	C1	C2	H6	133.619
C1	C3	C4	85.865	C1	C3	H7	115.702
C1	C3	H9	115.702	C2	C1	C3	94.135
C2	C1	H5	133.619	C2	C4	C3	85.865
C2	C4	H8	115.702	C2	C4	H10	115.702
C3	C1	H5	132.246	C3	C4	H8	114.629
C3	C4	H10	114.629	C4	C2	H6	132.246
C4	C3	H7	114.629	C4	C3	H9	114.629
H7	C3	H9	108.971	H8	C4	H10	108.971

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: MP2=FULL/6-31G(2df,p)

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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All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)