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	hartrees
Energy at 0K	-368.685353
Energy at 298.15K	-368.691870
HF Energy	-368.685353
Nuclear repulsion energy	59.660439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2407	2384	18.59
2	A₁	2383	2360	59.01
3	A₁	1042	1032	12.95
4	A₁	976	967	135.44
5	A₁	613	607	11.51
6	A₂	259	256	0.00
7	E	2500	2476	73.54
7	E	2500	2476	73.56
8	E	2393	2370	14.86
8	E	2393	2370	14.87
9	E	1104	1093	4.60
9	E	1104	1093	4.60
10	E	1071	1060	0.02
10	E	1071	1060	0.02
11	E	810	802	5.20
11	E	810	802	5.20
12	E	384	380	0.00
12	E	384	380	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.348
P2	0.000	0.000	0.536
H3	0.000	-1.175	-1.652
H4	-1.018	0.588	-1.652
H5	1.018	0.588	-1.652
H6	0.000	1.250	1.217
H7	-1.082	-0.625	1.217
H8	1.082	-0.625	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.8839	1.2141	1.2141	1.2141	2.8531	2.8531	2.8531
P2	1.8839		2.4841	2.4841	2.4841	1.4231	1.4231	1.4231
H3	1.2141	2.4841		2.0357	2.0357	3.7569	3.1157	3.1157
H4	1.2141	2.4841	2.0357		2.0357	3.1157	3.1157	3.7569
H5	1.2141	2.4841	2.0357	2.0357		3.1157	3.7569	3.1157
H6	2.8531	1.4231	3.7569	3.1157	3.1157		2.1645	2.1645
H7	2.8531	1.4231	3.1157	3.1157	3.7569	2.1645		2.1645
H8	2.8531	1.4231	3.1157	3.7569	3.1157	2.1645	2.1645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.584	B1	P2	H7	118.584
B1	P2	H8	118.584	P2	B1	H3	104.528
P2	B1	H4	104.528	P2	B1	H5	104.528
H3	B1	H4	113.929	H3	B1	H5	113.929
H4	B1	H5	113.929	H6	P2	H7	99.011
H6	P2	H8	99.011	H7	P2	H8	99.011

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	B	-0.696
2	P	0.036
3	H	0.093
4	H	0.093
5	H	0.093
6	H	0.127
7	H	0.127
8	H	0.127

	x	y	z	Total
	0.000	0.000	4.072	4.072
CHELPG
AIM
ESP

<r²>	50.424
(<r²>)^1/2	7.101

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

using model chemistry: SVWN/6-311G*

States and conformations

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