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	hartrees
Energy at 0K	-139.666802
Energy at 298.15K	-139.669344
HF Energy	-139.235547
Nuclear repulsion energy	53.740492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2957	0.54
2	A₁	2000	1919	128.02
3	A₁	1341	1286	7.89
4	A₁	814	781	0.01
5	E	3176	3047	1.53
5	E	3176	3047	1.53
6	E	1461	1401	4.83
6	E	1461	1401	4.83
7	E	919	882	19.49
7	E	919	882	19.49
8	E	365	350	9.03
8	E	365	350	9.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.309
B2	0.000	0.000	0.245
O3	0.000	0.000	1.462
H4	0.000	1.036	-1.690
H5	0.897	-0.518	-1.690
H6	-0.897	-0.518	-1.690

	C1	B2	O3	H4	H5	H6
C1		1.5542	2.7709	1.1035	1.1035	1.1035
B2	1.5542		1.2167	2.1949	2.1949	2.1949
O3	2.7709	1.2167		3.3177	3.3177	3.3177
H4	1.1035	2.1949	3.3177		1.7937	1.7937
H5	1.1035	2.1949	3.3177	1.7937		1.7937
H6	1.1035	2.1949	3.3177	1.7937	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.204
B2	C1	H5	110.204	B2	C1	H6	110.204
H4	C1	H5	108.728	H4	C1	H6	108.728
H5	C1	H6	108.728

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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