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	hartrees
Energy at 0K	-369.386508
Energy at 298.15K	-369.393110
HF Energy	-368.901724
Nuclear repulsion energy	59.711221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2542	2397	27.98
2	A₁	2506	2362	36.07
3	A₁	1121	1057	15.96
4	A₁	1041	982	196.89
5	A₁	569	536	4.15
6	A₂	252	237	0.00
7	E	2597	2448	118.76
7	E	2597	2448	118.76
8	E	2557	2411	1.78
8	E	2557	2411	1.78
9	E	1183	1115	7.39
9	E	1183	1115	7.39
10	E	1165	1098	2.95
10	E	1165	1098	2.95
11	E	855	806	4.66
11	E	855	806	4.66
12	E	391	369	0.54
12	E	391	369	0.54

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.369
P2	0.000	0.000	0.547
H3	0.000	-1.167	-1.651
H4	-1.011	0.584	-1.651
H5	1.011	0.584	-1.651
H6	0.000	1.235	1.197
H7	-1.070	-0.618	1.197
H8	1.070	-0.618	1.197

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9163	1.2010	1.2010	1.2010	2.8483	2.8483	2.8483
P2	1.9163		2.4891	2.4891	2.4891	1.3961	1.3961	1.3961
H3	1.2010	2.4891		2.0220	2.0220	3.7265	3.0920	3.0920
H4	1.2010	2.4891	2.0220		2.0220	3.0920	3.0920	3.7265
H5	1.2010	2.4891	2.0220	2.0220		3.0920	3.7265	3.0920
H6	2.8483	1.3961	3.7265	3.0920	3.0920		2.1399	2.1399
H7	2.8483	1.3961	3.0920	3.0920	3.7265	2.1399		2.1399
H8	2.8483	1.3961	3.0920	3.7265	3.0920	2.1399	2.1399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.752	B1	P2	H7	117.752
B1	P2	H8	117.752	P2	B1	H3	103.581
P2	B1	H4	103.581	P2	B1	H5	103.581
H3	B1	H4	114.664	H3	B1	H5	114.664
H4	B1	H5	114.664	H6	P2	H7	100.065
H6	P2	H8	100.065	H7	P2	H8	100.065

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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