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	hartrees
Energy at 0K	-156.094260
Energy at 298.15K
HF Energy	-155.971327
Nuclear repulsion energy	125.657825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3157	0.00
2	A₁	3118	3118	0.00
3	A₁	1582	1582	0.00
4	A₁	1193	1193	0.00
5	A₁	987	987	0.00
6	A₁	193	193	0.00
7	A₂	1307	1307	0.00
8	A₂	1017	1017	0.00
9	B₁	1301	1301	0.00
10	B₁	1195	1195	0.00
11	B₁	915	915	0.00
12	B₂	3189	3189	69.34
13	B₂	3110	3110	7.90
14	B₂	1559	1559	4.62
15	B₂	917	917	0.09
16	B₂	648	648	3.69
17	E	3171	3171	13.00
17	E	3171	3171	13.00
18	E	3111	3111	54.78
18	E	3111	3111	54.78
19	E	1552	1552	1.99
19	E	1552	1552	1.99
20	E	1326	1326	2.46
20	E	1326	1326	2.46
21	E	1275	1275	1.87
21	E	1275	1275	1.87
22	E	890	890	3.42
22	E	890	890	3.42
23	E	765	765	0.27
23	E	765	765	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.100	0.127
C2	0.000	-1.100	0.127
C3	-1.100	0.000	-0.127
C4	1.100	0.000	-0.127
H5	0.000	1.416	1.173
H6	0.000	1.971	-0.527
H7	0.000	-1.416	1.173
H8	0.000	-1.971	-0.527
H9	-1.416	0.000	-1.173
H10	-1.971	0.000	0.527
H11	1.416	0.000	-1.173
H12	1.971	0.000	0.527

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2003	1.5766	1.5766	1.0917	1.0897	2.7243	3.1404	2.2146	2.2926	2.2146	2.2926
C2	2.2003		1.5766	1.5766	2.7243	3.1404	1.0917	1.0897	2.2146	2.2926	2.2146	2.2926
C3	1.5766	1.5766		2.2003	2.2146	2.2926	2.2146	2.2926	1.0917	1.0897	2.7243	3.1404
C4	1.5766	1.5766	2.2003		2.2146	2.2926	2.2146	2.2926	2.7243	3.1404	1.0917	1.0897
H5	1.0917	2.7243	2.2146	2.2146		1.7884	2.8315	3.7896	3.0835	2.5112	3.0835	2.5112
H6	1.0897	3.1404	2.2926	2.2926	1.7884		3.7896	3.9424	2.5112	2.9806	2.5112	2.9806
H7	2.7243	1.0917	2.2146	2.2146	2.8315	3.7896		1.7884	3.0835	2.5112	3.0835	2.5112
H8	3.1404	1.0897	2.2926	2.2926	3.7896	3.9424	1.7884		2.5112	2.9806	2.5112	2.9806
H9	2.2146	2.2146	1.0917	2.7243	3.0835	2.5112	3.0835	2.5112		1.7884	2.8315	3.7896
H10	2.2926	2.2926	1.0897	3.1404	2.5112	2.9806	2.5112	2.9806	1.7884		3.7896	3.9424
H11	2.2146	2.2146	2.7243	1.0917	3.0835	2.5112	3.0835	2.5112	2.8315	3.7896		1.7884
H12	2.2926	2.2926	3.1404	1.0897	2.5112	2.9806	2.5112	2.9806	3.7896	3.9424	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.503	C1	C3	H9	110.881
C1	C3	H10	117.430	C1	C4	C2	88.503
C1	C4	H11	110.881	C1	C4	H12	117.430
C2	C3	H9	110.881	C2	C3	H10	117.430
C2	C4	H11	110.881	C2	C4	H12	117.430
C3	C1	C4	88.503	C3	C1	H5	110.881
C3	C1	H6	117.430	C3	C2	C4	88.503
C3	C2	H7	110.881	C3	C2	H8	117.430
C4	C1	H5	110.881	C4	C1	H6	117.430
C4	C2	H7	110.881	C4	C2	H8	117.430
H5	C1	H6	110.132	H7	C2	H8	110.132
H9	C3	H10	110.132	H11	C4	H12	110.132

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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 C4H8 (cyclobutane)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)