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	hartrees
Energy at 0K	-139.868846
Energy at 298.15K
HF Energy	-139.709861
Nuclear repulsion energy	55.104407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3850	3850	130.45
2	A'	3203	3203	8.42
3	A'	1836	1836	309.63
4	A'	1371	1371	3.66
5	A'	1013	1013	154.27
6	A'	956	956	17.96
7	A'	649	649	78.06
8	A'	377	377	16.07
9	A"	3280	3280	0.19
10	A"	794	794	40.43
11	A"	621	621	79.72
12	A"	332	332	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.385	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.315	0.000
H4	0.040	1.957	0.917
H5	0.040	1.957	-0.917
H6	-0.834	-1.716	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3821	2.6993	1.0811	1.0811	3.2210
B2	1.3821		1.3172	2.1589	2.1589	1.9276
O3	2.6993	1.3172		3.3977	3.3977	0.9616
H4	1.0811	2.1589	3.3977		1.8345	3.8848
H5	1.0811	2.1589	3.3977	1.8345		3.8848
H6	3.2210	1.9276	0.9616	3.8848	3.8848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.958
B2	C1	H5	121.958	B2	O3	H6	114.633
H4	C1	H5	116.084

All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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 CH2BOH (hydroxy(methylene)borane)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)