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	hartrees
Energy at 0K	-139.663844
Energy at 298.15K	-139.666371
HF Energy	-139.233747
Nuclear repulsion energy	53.965871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	2946	0.62
2	A₁	2010	1900	155.90
3	A₁	1393	1317	11.43
4	A₁	820	775	0.15
5	E	3207	3032	2.35
5	E	3207	3032	2.35
6	E	1506	1423	6.41
6	E	1506	1423	6.41
7	E	946	894	20.71
7	E	946	894	20.71
8	E	352	333	14.80
8	E	352	333	14.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.304
B2	0.000	0.000	0.240
O3	0.000	0.000	1.459
H4	0.000	1.022	-1.683
H5	0.885	-0.511	-1.683
H6	-0.885	-0.511	-1.683

	C1	B2	O3	H4	H5	H6
C1		1.5446	2.7631	1.0900	1.0900	1.0900
B2	1.5446		1.2185	2.1779	2.1779	2.1779
O3	2.7631	1.2185		3.3038	3.3038	3.3038
H4	1.0900	2.1779	3.3038		1.7703	1.7703
H5	1.0900	2.1779	3.3038	1.7703		1.7703
H6	1.0900	2.1779	3.3038	1.7703	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.325
B2	C1	H5	110.325	B2	C1	H6	110.325
H4	C1	H5	108.604	H4	C1	H6	108.604
H5	C1	H6	108.604

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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