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	hartrees
Energy at 0K	-139.886464
Energy at 298.15K
HF Energy	-139.886464
Nuclear repulsion energy	55.928328

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	2409	2362	1.82	165.93	0.00	0.00
2	A₁	2137	2095	425.91	49.44	0.27	0.43
3	A₁	1054	1034	0.10	20.65	0.67	0.80
4	A₁	750	735	21.59	9.59	0.24	0.39
5	E	2477	2428	41.35	103.34	0.75	0.86
5	E	2477	2428	41.35	103.36	0.75	0.86
6	E	1085	1064	0.08	24.02	0.75	0.86
6	E	1085	1064	0.08	24.02	0.75	0.86
7	E	802	787	3.54	0.10	0.75	0.86
7	E	802	787	3.54	0.10	0.75	0.86
8	E	289	283	5.63	0.41	0.75	0.86
8	E	289	283	5.63	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.349
C2	0.000	0.000	0.181
O3	0.000	0.000	1.332
H4	0.000	1.178	-1.665
H5	1.020	-0.589	-1.665
H6	-1.020	-0.589	-1.665

	B1	C2	O3	H4	H5	H6
B1		1.5303	2.6809	1.2195	1.2195	1.2195
C2	1.5303		1.1505	2.1896	2.1896	2.1896
O3	2.6809	1.1505		3.2196	3.2196	3.2196
H4	1.2195	2.1896	3.2196		2.0403	2.0403
H5	1.2195	2.1896	3.2196	2.0403		2.0403
H6	1.2195	2.1896	3.2196	2.0403	2.0403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.992
C2	B1	H5	104.992	C2	B1	H6	104.992
H4	B1	H5	113.555	H4	B1	H6	113.555
H5	B1	H6	113.555

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

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	B	-0.262
2	C	0.449
3	O	-0.230
4	H	0.014
5	H	0.014
6	H	0.014

	x	y	z	Total
	0.000	0.000	1.316	1.316
CHELPG
AIM
ESP

<r²>	48.197
(<r²>)^1/2	6.942

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

using model chemistry: B97D3/6-31G*

States and conformations

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