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	hartrees
Energy at 0K	-139.772791
Energy at 298.15K	-139.775051
HF Energy	-139.203131
Nuclear repulsion energy	56.349305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2477	2402
2	A₁	2203	2136
3	A₁	1105	1071
4	A₁	695	674
5	E	2558	2481
5	E	2557	2480
6	E	1144	1109
6	E	1143	1108
7	E	836	811
7	E	834	809
8	E	310	300
8	E	306	297

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.359
C2	0.000	0.000	0.192
O3	0.000	0.000	1.322
H4	0.000	1.171	-1.644
H5	1.014	-0.585	-1.644
H6	-1.014	-0.585	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5507	2.6801	1.2050	1.2050	1.2050
C2	1.5507		1.1295	2.1779	2.1779	2.1779
O3	2.6801	1.1295		3.1887	3.1887	3.1887
H4	1.2050	2.1779	3.1887		2.0275	2.0275
H5	1.2050	2.1779	3.1887	2.0275		2.0275
H6	1.2050	2.1779	3.1887	2.0275	2.0275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.726
C2	B1	H5	103.726	C2	B1	H6	103.726
H4	B1	H5	114.554	H4	B1	H6	114.554
H5	B1	H6	114.554

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

using model chemistry: CCSD(T)/cc-pVQZ

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: CCSD(T)/cc-pVQZ

States and conformations

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