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	hartrees
Energy at 0K	-369.230644
Energy at 298.15K	-369.237300
HF Energy	-368.876949
Nuclear repulsion energy	59.237676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2521	2388	33.49
2	A₁	2483	2352	47.43
3	A₁	1138	1078	3.63
4	A₁	1065	1009	218.23
5	A₁	561	531	1.21
6	A₂	250	237	0.00
7	E	2573	2437	136.11
7	E	2573	2437	136.11
8	E	2534	2400	5.47
8	E	2534	2400	5.47
9	E	1188	1125	13.25
9	E	1188	1125	13.25
10	E	1166	1104	0.05
10	E	1166	1104	0.05
11	E	886	839	2.73
11	E	886	839	2.73
12	E	418	396	2.19
12	E	418	396	2.19

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.379
P2	0.000	0.000	0.555
H3	0.000	-1.170	-1.679
H4	-1.014	0.585	-1.679
H5	1.014	0.585	-1.679
H6	0.000	1.246	1.201
H7	-1.079	-0.623	1.201
H8	1.079	-0.623	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9339	1.2081	1.2081	1.2081	2.8645	2.8645	2.8645
P2	1.9339		2.5217	2.5217	2.5217	1.4030	1.4030	1.4030
H3	1.2081	2.5217		2.0270	2.0270	3.7586	3.1230	3.1230
H4	1.2081	2.5217	2.0270		2.0270	3.1230	3.1230	3.7586
H5	1.2081	2.5217	2.0270	2.0270		3.1230	3.7586	3.1230
H6	2.8645	1.4030	3.7586	3.1230	3.1230		2.1576	2.1576
H7	2.8645	1.4030	3.1230	3.1230	3.7586	2.1576		2.1576
H8	2.8645	1.4030	3.1230	3.7586	3.1230	2.1576	2.1576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.395	B1	P2	H7	117.395
B1	P2	H8	117.395	P2	B1	H3	104.365
P2	B1	H4	104.365	P2	B1	H5	104.365
H3	B1	H4	114.059	H3	B1	H5	114.059
H4	B1	H5	114.059	H6	P2	H7	100.512
H6	P2	H8	100.512	H7	P2	H8	100.512

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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