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	hartrees
Energy at 0K	-155.504805
Energy at 298.15K	-155.511023
HF Energy	-154.925338
Nuclear repulsion energy	112.706643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3074	23.96
2	A₁	3057	2927	44.52
3	A₁	1633	1564	0.52
4	A₁	1528	1463	0.34
5	A₁	1249	1196	2.32
6	A₁	1148	1099	0.21
7	A₁	1014	971	0.00
8	A₁	915	876	1.77
9	A₂	3094	2962	0.00
10	A₂	1192	1141	0.00
11	A₂	1048	1003	0.00
12	A₂	891	853	0.00
13	A₂	300	287	0.00
14	B₁	3109	2977	61.69
15	B₁	1116	1068	5.38
16	B₁	878	840	16.47
17	B₁	651	623	51.70
18	B₂	3180	3044	17.67
19	B₂	3050	2920	44.68
20	B₂	1504	1440	0.46
21	B₂	1334	1277	14.44
22	B₂	1247	1194	3.44
23	B₂	913	875	13.57
24	B₂	862	826	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.818
C2	0.000	-0.674	0.818
C3	0.000	0.786	-0.703
C4	0.000	-0.786	-0.703
H5	0.000	1.424	1.607
H6	0.000	-1.424	1.607
H7	0.892	1.246	-1.147
H8	-0.892	-1.246	-1.147
H9	-0.892	1.246	-1.147
H10	0.892	-1.246	-1.147

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3475	1.5252	2.1082	1.0884	2.2407	2.2320	2.8880	2.2320	2.8880
C2	1.3475		2.1082	1.5252	2.2407	1.0884	2.8880	2.2320	2.8880	2.2320
C3	1.5252	2.1082		1.5721	2.3963	3.1965	1.0972	2.2632	1.0972	2.2632
C4	2.1082	1.5252	1.5721		3.1965	2.3963	2.2632	1.0972	2.2632	1.0972
H5	1.0884	2.2407	2.3963	3.1965		2.8470	2.8996	3.9374	2.8996	3.9374
H6	2.2407	1.0884	3.1965	2.3963	2.8470		3.9374	2.8996	3.9374	2.8996
H7	2.2320	2.8880	1.0972	2.2632	2.8996	3.9374		3.0650	1.7839	2.4923
H8	2.8880	2.2320	2.2632	1.0972	3.9374	2.8996	3.0650		2.4923	1.7839
H9	2.2320	2.8880	1.0972	2.2632	2.8996	3.9374	1.7839	2.4923		3.0650
H10	2.8880	2.2320	2.2632	1.0972	3.9374	2.8996	2.4923	1.7839	3.0650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.222	C1	C2	H6	133.543
C1	C3	C4	85.778	C1	C3	H7	115.712
C1	C3	H9	115.712	C2	C1	C3	94.222
C2	C1	H5	133.543	C2	C4	C3	85.778
C2	C4	H8	115.712	C2	C4	H10	115.712
C3	C1	H5	132.235	C3	C4	H8	114.795
C3	C4	H10	114.795	C4	C2	H6	132.235
C4	C3	H7	114.795	C4	C3	H9	114.795
H7	C3	H9	108.768	H8	C4	H10	108.768

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)