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	hartrees
Energy at 0K	-139.678082
Energy at 298.15K	-139.680608
HF Energy	-139.235231
Nuclear repulsion energy	53.660442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3069	3004
2	A₁	1991	1948
3	A₁	1328	1300
4	A₁	809	791
5	E	3165	3098
5	E	3165	3098
6	E	1452	1421
6	E	1452	1421
7	E	912	893
7	E	912	893
8	E	361	353
8	E	361	353

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.311
B2	0.000	0.000	0.245
O3	0.000	0.000	1.464
H4	0.000	1.037	-1.691
H5	0.898	-0.519	-1.691
H6	-0.898	-0.519	-1.691

	C1	B2	O3	H4	H5	H6
C1		1.5562	2.7753	1.1045	1.1045	1.1045
B2	1.5562		1.2191	2.1966	2.1966	2.1966
O3	2.7753	1.2191		3.3215	3.3215	3.3215
H4	1.1045	2.1966	3.3215		1.7962	1.7962
H5	1.1045	2.1966	3.3215	1.7962		1.7962
H6	1.1045	2.1966	3.3215	1.7962	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.134
B2	C1	H5	110.134	B2	C1	H6	110.134
H4	C1	H5	108.800	H4	C1	H6	108.800
H5	C1	H6	108.800

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

using model chemistry: CCSD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

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