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	hartrees
Energy at 0K	-369.152114
Energy at 298.15K	-369.158621
HF Energy	-368.879930
Nuclear repulsion energy	58.723934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2532	2532	32.37
2	A₁	2488	2488	42.82
3	A₁	1107	1107	42.17
4	A₁	1019	1019	194.37
5	A₁	535	535	0.57
6	A₂	226	226	0.00
7	E	2580	2580	142.61
7	E	2580	2580	142.61
8	E	2550	2550	0.05
8	E	2550	2550	0.05
9	E	1174	1174	8.83
9	E	1174	1174	8.83
10	E	1147	1147	2.69
10	E	1147	1147	2.69
11	E	839	839	2.70
11	E	839	839	2.70
12	E	378	378	0.70
12	E	378	378	0.70

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.400
P2	0.000	0.000	0.559
H3	0.000	-1.182	-1.680
H4	-1.024	0.591	-1.680
H5	1.024	0.591	-1.680
H6	0.000	1.251	1.216
H7	-1.084	-0.626	1.216
H8	1.084	-0.626	1.216

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9590	1.2148	1.2148	1.2148	2.8994	2.8994	2.8994
P2	1.9590		2.5325	2.5325	2.5325	1.4131	1.4131	1.4131
H3	1.2148	2.5325		2.0471	2.0471	3.7828	3.1421	3.1421
H4	1.2148	2.5325	2.0471		2.0471	3.1421	3.1421	3.7828
H5	1.2148	2.5325	2.0471	2.0471		3.1421	3.7828	3.1421
H6	2.8994	1.4131	3.7828	3.1421	3.1421		2.1674	2.1674
H7	2.8994	1.4131	3.1421	3.1421	3.7828	2.1674		2.1674
H8	2.8994	1.4131	3.1421	3.7828	3.1421	2.1674	2.1674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.685	B1	P2	H7	117.685
B1	P2	H8	117.685	P2	B1	H3	103.367
P2	B1	H4	103.367	P2	B1	H5	103.367
H3	B1	H4	114.823	H3	B1	H5	114.823
H4	B1	H5	114.823	H6	P2	H7	100.149
H6	P2	H8	100.149	H7	P2	H8	100.149

All results from a given calculation for BH₃PH₃ (borane phosphine)

using model chemistry: MP2=FULL/daug-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 BH3PH3 (borane phosphine)

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

States and conformations

All results from a given calculation for BH₃PH₃ (borane phosphine)