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	hartrees
Energy at 0K	-64.594090
Energy at 298.15K	-64.595279
HF Energy	-64.594090
Nuclear repulsion energy	23.843953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3035	12.60
2	A₁	2847	2719	23.40
3	A₁	1521	1453	62.14
4	A₁	1272	1215	7.23
5	B₁	735	703	114.53
6	B₁	637	608	3.23
7	B₂	3252	3107	2.94
8	B₂	914	873	52.86
9	B₂	413	394	5.39

Atom	y (Å)	z (Å)
C1	0.000	0.594
B2	0.000	-0.790
H3	0.919	1.177
H4	-0.919	1.177
H5	0.000	-1.967

	C1	B2	H3	H4	H5
C1		1.3836	1.0883	1.0883	2.5613
B2	1.3836		2.1707	2.1707	1.1776
H3	1.0883	2.1707		1.8380	3.2757
H4	1.0883	2.1707	1.8380		3.2757
H5	2.5613	1.1776	3.2757	3.2757

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.385
B2	C1	H4	122.385		H4	C1	H3	115.229

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.620
2	B	0.200
3	H	0.183
4	H	0.183
5	H	0.054

	x	y	z	Total
	0.000	0.000	-0.618	0.618
CHELPG
AIM
ESP

<r²>	21.818
(<r²>)^1/2	4.671

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)