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	hartrees
Energy at 0K	-139.605166
Energy at 298.15K	-139.607398
HF Energy	-139.152232
Nuclear repulsion energy	55.648463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2486	2486
2	A₁	2234	2234
3	A₁	1104	1104
4	A₁	668	668
5	E	2571	2571
5	E	2571	2571
6	E	1138	1138
6	E	1138	1138
7	E	838	838
7	E	838	838
8	E	301	301
8	E	301	301

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
C2	0.000	0.000	0.200
O3	0.000	0.000	1.338
H4	0.000	1.187	-1.667
H5	1.028	-0.594	-1.667
H6	-1.028	-0.594	-1.667

	B1	C2	O3	H4	H5	H6
B1		1.5821	2.7200	1.2209	1.2209	1.2209
C2	1.5821		1.1379	2.2130	2.2130	2.2130
O3	2.7200	1.1379		3.2315	3.2315	3.2315
H4	1.2209	2.2130	3.2315		2.0560	2.0560
H5	1.2209	2.2130	3.2315	2.0560		2.0560
H6	1.2209	2.2130	3.2315	2.0560	2.0560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.528
C2	B1	H5	103.528	C2	B1	H6	103.528
H4	B1	H5	114.704	H4	B1	H6	114.704
H5	B1	H6	114.704

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

using model chemistry: QCISD(TQ)=FULL/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(TQ)=FULL/cc-pVDZ

States and conformations

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