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	hartrees
Energy at 0K	-369.636847
Energy at 298.15K	-369.643370
HF Energy	-369.636847
Nuclear repulsion energy	59.118988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2468	2370	32.53
2	A₁	2460	2362	42.21
3	A₁	1086	1043	4.45
4	A₁	1013	973	194.03
5	A₁	546	524	4.10
6	A₂	245	235	0.00
7	E	2546	2445	119.86
7	E	2546	2445	119.89
8	E	2480	2381	9.92
8	E	2480	2381	9.93
9	E	1142	1096	5.67
9	E	1142	1096	5.67
10	E	1126	1081	2.27
10	E	1126	1081	2.27
11	E	836	803	2.72
11	E	836	803	2.72
12	E	383	368	0.25
12	E	383	368	0.25

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
P2	0.000	0.000	0.551
H3	0.000	-1.174	-1.669
H4	-1.017	0.587	-1.669
H5	1.017	0.587	-1.669
H6	0.000	1.248	1.217
H7	-1.081	-0.624	1.217
H8	1.081	-0.624	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9327	1.2088	1.2088	1.2088	2.8833	2.8833	2.8833
P2	1.9327		2.5109	2.5109	2.5109	1.4149	1.4149	1.4149
H3	1.2088	2.5109		2.0339	2.0339	3.7679	3.1305	3.1305
H4	1.2088	2.5109	2.0339		2.0339	3.1305	3.1305	3.7679
H5	1.2088	2.5109	2.0339	2.0339		3.1305	3.7679	3.1305
H6	2.8833	1.4149	3.7679	3.1305	3.1305		2.1618	2.1618
H7	2.8833	1.4149	3.1305	3.1305	3.7679	2.1618		2.1618
H8	2.8833	1.4149	3.1305	3.7679	3.1305	2.1618	2.1618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.104	B1	P2	H7	118.104
B1	P2	H8	118.104	P2	B1	H3	103.724
P2	B1	H4	103.724	P2	B1	H5	103.724
H3	B1	H4	114.555	H3	B1	H5	114.555
H4	B1	H5	114.555	H6	P2	H7	99.622
H6	P2	H8	99.622	H7	P2	H8	99.622

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

using model chemistry: HSEh1PBE/TZVP

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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Number	Element	Mulliken
1	B	-0.353
2	P	0.216
3	H	-0.009
4	H	-0.009
5	H	-0.009
6	H	0.055
7	H	0.055
8	H	0.055

<r²>	51.109
(<r²>)^1/2	7.149

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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