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	hartrees
Energy at 0K	-139.609022
Energy at 298.15K
HF Energy	-139.158435
Nuclear repulsion energy	55.587741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2467	2467	5.45
2	A₁	2186	2186	311.15
3	A₁	1109	1109	32.19
4	A₁	645	645	20.47
5	E	2545	2545	74.18
5	E	2545	2545	74.18
6	E	1143	1143	0.73
6	E	1143	1143	0.73
7	E	848	848	0.47
7	E	848	848	0.47
8	E	304	304	9.81
8	E	304	304	9.81

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
C2	0.000	0.000	0.202
O3	0.000	0.000	1.341
H4	0.000	1.185	-1.669
H5	1.026	-0.592	-1.669
H6	-1.026	-0.592	-1.669

	B1	C2	O3	H4	H5	H6
B1		1.5871	2.7260	1.2181	1.2181	1.2181
C2	1.5871		1.1390	2.2141	2.2141	2.2141
O3	2.7260	1.1390		3.2343	3.2343	3.2343
H4	1.2181	2.2141	3.2343		2.0519	2.0519
H5	1.2181	2.2141	3.2343	2.0519		2.0519
H6	1.2181	2.2141	3.2343	2.0519	2.0519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.458
C2	B1	H5	103.458	C2	B1	H6	103.458
H4	B1	H5	114.756	H4	B1	H6	114.756
H5	B1	H6	114.756

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

using model chemistry: QCISD/daug-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 BH3CO (Borane carbonyl)

using model chemistry: QCISD/daug-cc-pVDZ

States and conformations

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