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	hartrees
Energy at 0K	-139.850615
Energy at 298.15K
HF Energy	-139.704341
Nuclear repulsion energy	56.075740

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	2476	2381	1.32	292.03	0.00	0.00
2	A₁	2153	2070	400.63	102.97	0.28	0.44
3	A₁	1092	1050	7.56	23.32	0.32	0.48
4	A₁	724	696	30.79	5.52	0.07	0.12
5	E	2551	2453	50.77	109.86	0.75	0.86
5	E	2551	2453	50.77	110.21	0.75	0.86
6	E	1122	1079	0.04	10.75	0.75	0.86
6	E	1122	1079	0.04	10.78	0.75	0.86
7	E	821	790	2.29	0.86	0.75	0.86
7	E	821	790	2.29	0.86	0.75	0.86
8	E	301	290	6.19	0.55	0.75	0.86
8	E	301	290	6.19	0.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.356
C2	0.000	0.000	0.187
O3	0.000	0.000	1.328
H4	0.000	1.177	-1.655
H5	1.019	-0.588	-1.655
H6	-1.019	-0.588	-1.655

	B1	C2	O3	H4	H5	H6
B1		1.5434	2.6841	1.2141	1.2141	1.2141
C2	1.5434		1.1407	2.1857	2.1857	2.1857
O3	2.6841	1.1407		3.2062	3.2062	3.2062
H4	1.2141	2.1857	3.2062		2.0384	2.0384
H5	1.2141	2.1857	3.2062	2.0384		2.0384
H6	1.2141	2.1857	3.2062	2.0384	2.0384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.225
C2	B1	H5	104.225	C2	B1	H6	104.225
H4	B1	H5	114.168	H4	B1	H6	114.168
H5	B1	H6	114.168

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

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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