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	hartrees
Energy at 0K	-138.674368
Energy at 298.15K	-138.676659
HF Energy	-138.346805
Nuclear repulsion energy	54.693713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2475	2423
2	A₁	1865	1825
3	A₁	1128	1105
4	A₁	645	631
5	E	2555	2501
5	E	2555	2501
6	E	1150	1125
6	E	1150	1125
7	E	875	856
7	E	875	856
8	E	323	317
8	E	323	317

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.393
C2	0.000	0.000	0.190
O3	0.000	0.000	1.367
H4	0.000	1.178	-1.703
H5	1.020	-0.589	-1.703
H6	-1.020	-0.589	-1.703

	B1	C2	O3	H4	H5	H6
B1		1.5833	2.7608	1.2180	1.2180	1.2180
C2	1.5833		1.1776	2.2298	2.2298	2.2298
O3	2.7608	1.1776		3.2890	3.2890	3.2890
H4	1.2180	2.2298	3.2890		2.0402	2.0402
H5	1.2180	2.2298	3.2890	2.0402		2.0402
H6	1.2180	2.2298	3.2890	2.0402	2.0402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.744
C2	B1	H5	104.744	C2	B1	H6	104.744
H4	B1	H5	113.756	H4	B1	H6	113.756
H5	B1	H6	113.756

All results from a given calculation for BH₃CO (Borane carbonyl)

using model chemistry: MP4=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 BH3CO (Borane carbonyl)

using model chemistry: MP4=FULL/3-21G

States and conformations

All results from a given calculation for BH₃CO (Borane carbonyl)