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	hartrees
Energy at 0K	-139.867211
Energy at 298.15K
HF Energy	-139.703143
Nuclear repulsion energy	56.510096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2514	2514	2.11	169.73	0.00	0.00
2	A₁	2199	2199	360.54	79.18	0.25	0.40
3	A₁	1116	1116	4.94	22.39	0.55	0.71
4	A₁	744	744	31.83	3.61	0.19	0.31
5	E	2591	2591	36.39	95.44	0.75	0.86
5	E	2591	2591	36.39	95.44	0.75	0.86
6	E	1145	1145	0.03	20.04	0.75	0.86
6	E	1145	1145	0.03	20.04	0.75	0.86
7	E	846	846	4.98	0.03	0.75	0.86
7	E	846	846	4.97	0.03	0.75	0.86
8	E	319	319	6.40	0.21	0.75	0.86
8	E	319	319	6.40	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.344
C2	0.000	0.000	0.184
O3	0.000	0.000	1.318
H4	0.000	1.166	-1.643
H5	1.010	-0.583	-1.643
H6	-1.010	-0.583	-1.643

	B1	C2	O3	H4	H5	H6
B1		1.5280	2.6618	1.2040	1.2040	1.2040
C2	1.5280		1.1338	2.1672	2.1672	2.1672
O3	2.6618	1.1338		3.1819	3.1819	3.1819
H4	1.2040	2.1672	3.1819		2.0202	2.0202
H5	1.2040	2.1672	3.1819	2.0202		2.0202
H6	1.2040	2.1672	3.1819	2.0202	2.0202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.359
C2	B1	H5	104.359	C2	B1	H6	104.359
H4	B1	H5	114.063	H4	B1	H6	114.063
H5	B1	H6	114.063

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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