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	hartrees
Energy at 0K	-138.644255
Energy at 298.15K	-138.646587
HF Energy	-138.352218
Nuclear repulsion energy	55.333989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2481	2412	5.13
2	A₁	2200	2139	226.25
3	A₁	1138	1106	10.04
4	A₁	641	624	17.76
5	E	2561	2490	39.72
5	E	2561	2490	39.72
6	E	1156	1124	0.46
6	E	1156	1124	0.46
7	E	891	866	0.04
7	E	891	866	0.04
8	E	337	327	17.42
8	E	337	327	17.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.386
C2	0.000	0.000	0.202
O3	0.000	0.000	1.349
H4	0.000	1.178	-1.694
H5	1.020	-0.589	-1.694
H6	-1.020	-0.589	-1.694

	B1	C2	O3	H4	H5	H6
B1		1.5878	2.7351	1.2175	1.2175	1.2175
C2	1.5878		1.1473	2.2320	2.2320	2.2320
O3	2.7351	1.1473		3.2631	3.2631	3.2631
H4	1.2175	2.2320	3.2631		2.0402	2.0402
H5	1.2175	2.2320	3.2631	2.0402		2.0402
H6	1.2175	2.2320	3.2631	2.0402	2.0402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.655
C2	B1	H5	104.655	C2	B1	H6	104.655
H4	B1	H5	113.828	H4	B1	H6	113.828
H5	B1	H6	113.828

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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