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	hartrees
Energy at 0K	-139.589206
Energy at 298.15K
HF Energy	-139.155513
Nuclear repulsion energy	55.721181

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	2504	2427	2.82	303.84	0.00	0.00
2	A₁	2126	2061	275.86	144.29	0.28	0.43
3	A₁	1107	1073	19.62	24.35	0.29	0.45
4	A₁	698	677	32.95	1.50	0.00	0.00
5	E	2590	2510	60.13	105.80	0.75	0.86
5	E	2590	2510	60.13	105.81	0.75	0.86
6	E	1144	1108	0.21	10.73	0.75	0.86
6	E	1144	1108	0.21	10.73	0.75	0.86
7	E	830	805	0.95	1.23	0.75	0.86
7	E	830	805	0.95	1.23	0.75	0.86
8	E	301	292	6.92	0.47	0.75	0.86
8	E	301	292	6.92	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.371
C2	0.000	0.000	0.190
O3	0.000	0.000	1.337
H4	0.000	1.180	-1.661
H5	1.022	-0.590	-1.661
H6	-1.022	-0.590	-1.661

	B1	C2	O3	H4	H5	H6
B1		1.5608	2.7081	1.2148	1.2148	1.2148
C2	1.5608		1.1473	2.1945	2.1945	2.1945
O3	2.7081	1.1473		3.2215	3.2215	3.2215
H4	1.2148	2.1945	3.2215		2.0433	2.0433
H5	1.2148	2.1945	3.2215	2.0433		2.0433
H6	1.2148	2.1945	3.2215	2.0433	2.0433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.795
C2	B1	H5	103.795	C2	B1	H6	103.795
H4	B1	H5	114.502	H4	B1	H6	114.502
H5	B1	H6	114.502

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVDZ

States and conformations

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