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	hartrees
Energy at 0K	-139.833981
Energy at 298.15K	-139.836536
HF Energy	-139.288023
Nuclear repulsion energy	54.375524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3078	2926	0.03
2	A₁	2055	1953	189.59
3	A₁	1359	1292	10.98
4	A₁	825	784	0.05
5	E	3162	3005	0.85
5	E	3162	3005	0.85
6	E	1481	1408	4.91
6	E	1481	1408	4.91
7	E	931	885	23.51
7	E	931	885	23.50
8	E	365	347	14.53
8	E	365	347	14.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.243
O3	0.000	0.000	1.446
H4	0.000	1.020	-1.673
H5	0.883	-0.510	-1.673
H6	-0.883	-0.510	-1.673

	C1	B2	O3	H4	H5	H6
C1		1.5373	2.7401	1.0879	1.0879	1.0879
B2	1.5373		1.2028	2.1706	2.1706	2.1706
O3	2.7401	1.2028		3.2814	3.2814	3.2814
H4	1.0879	2.1706	3.2814		1.7664	1.7664
H5	1.0879	2.1706	3.2814	1.7664		1.7664
H6	1.0879	2.1706	3.2814	1.7664	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.377
B2	C1	H5	110.377	B2	C1	H6	110.377
H4	C1	H5	108.551	H4	C1	H6	108.551
H5	C1	H6	108.551

All results from a given calculation for CH₃BO (Borane, methyloxo-)

using model chemistry: CCSD/cc-pVQZ

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 CH3BO (Borane, methyloxo-)

using model chemistry: CCSD/cc-pVQZ

States and conformations

All results from a given calculation for CH₃BO (Borane, methyloxo-)