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	hartrees
Energy at 0K	-138.736679
Energy at 298.15K	-138.739275
HF Energy	-138.457999
Nuclear repulsion energy	53.649807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	3076	0.10
2	A₁	2066	2066	114.32
3	A₁	1459	1459	38.05
4	A₁	829	829	0.03
5	E	3144	3144	2.21
5	E	3144	3144	2.21
6	E	1555	1555	9.54
6	E	1555	1555	9.54
7	E	1001	1001	28.21
7	E	1001	1001	28.21
8	E	371	371	7.88
8	E	371	371	7.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.308
B2	0.000	0.000	0.237
O3	0.000	0.000	1.468
H4	0.000	1.027	-1.694
H5	0.889	-0.513	-1.694
H6	-0.889	-0.513	-1.694

	C1	B2	O3	H4	H5	H6
C1		1.5455	2.7761	1.0967	1.0967	1.0967
B2	1.5455		1.2306	2.1871	2.1871	2.1871
O3	2.7761	1.2306		3.3243	3.3243	3.3243
H4	1.0967	2.1871	3.3243		1.7782	1.7782
H5	1.0967	2.1871	3.3243	1.7782		1.7782
H6	1.0967	2.1871	3.3243	1.7782	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.586
B2	C1	H5	110.586	B2	C1	H6	110.586
H4	C1	H5	108.334	H4	C1	H6	108.334
H5	C1	H6	108.334

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

using model chemistry: MP3=FULL/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 CH3BO (Borane, methyloxo-)

using model chemistry: MP3=FULL/3-21G*

States and conformations

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