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	hartrees
Energy at 0K	-139.960926
Energy at 298.15K
HF Energy	-139.960926
Nuclear repulsion energy	56.735443

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	2464	2376	0.51	242.71	0.00	0.00
2	A₁	2233	2153	522.56	63.66	0.34	0.51
3	A₁	1078	1040	0.23	14.49	0.65	0.79
4	A₁	779	751	30.80	9.77	0.15	0.26
5	E	2540	2449	34.97	110.54	0.75	0.86
5	E	2540	2449	34.97	110.54	0.75	0.86
6	E	1102	1062	0.17	16.89	0.75	0.86
6	E	1102	1062	0.17	16.89	0.75	0.86
7	E	811	782	5.80	0.34	0.75	0.86
7	E	811	782	5.80	0.34	0.75	0.86
8	E	301	290	5.30	0.21	0.75	0.86
8	E	301	290	5.30	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.331
C2	0.000	0.000	0.181
O3	0.000	0.000	1.311
H4	0.000	1.169	-1.640
H5	1.012	-0.584	-1.640
H6	-1.012	-0.584	-1.640

	B1	C2	O3	H4	H5	H6
B1		1.5121	2.6424	1.2089	1.2089	1.2089
C2	1.5121		1.1303	2.1635	2.1635	2.1635
O3	2.6424	1.1303		3.1740	3.1740	3.1740
H4	1.2089	2.1635	3.1740		2.0244	2.0244
H5	1.2089	2.1635	3.1740	2.0244		2.0244
H6	1.2089	2.1635	3.1740	2.0244	2.0244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.790
C2	B1	H5	104.790	C2	B1	H6	104.790
H4	B1	H5	113.719	H4	B1	H6	113.719
H5	B1	H6	113.719

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

using model chemistry: B3PW91/TZVP

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	-0.347
2	C	0.397
3	O	-0.123
4	H	0.024
5	H	0.024
6	H	0.024

	x	y	z	Total
	0.000	0.000	1.338	1.338
CHELPG
AIM
ESP

<r²>	47.460
(<r²>)^1/2	6.889

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

using model chemistry: B3PW91/TZVP

States and conformations

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