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	hartrees
Energy at 0K	-369.193608
Energy at 298.15K	-369.200200
HF Energy	-368.889891
Nuclear repulsion energy	59.106064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2555	2434	25.30
2	A₁	2518	2399	48.59
3	A₁	1141	1087	25.17
4	A₁	1059	1009	226.48
5	A₁	529	504	0.69
6	A₂	245	233	0.00
7	E	2614	2490	138.15
7	E	2614	2490	138.15
8	E	2566	2445	7.02
8	E	2566	2445	7.02
9	E	1198	1141	7.19
9	E	1198	1141	7.19
10	E	1177	1121	6.66
10	E	1177	1121	6.66
11	E	871	830	1.97
11	E	871	830	1.97
12	E	395	376	1.89
12	E	395	376	1.89

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.393
P2	0.000	0.000	0.557
H3	0.000	-1.168	-1.674
H4	-1.012	0.584	-1.674
H5	1.012	0.584	-1.674
H6	0.000	1.242	1.209
H7	-1.076	-0.621	1.209
H8	1.076	-0.621	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9501	1.2017	1.2017	1.2017	2.8830	2.8830	2.8830
P2	1.9501		2.5184	2.5184	2.5184	1.4025	1.4025	1.4025
H3	1.2017	2.5184		2.0238	2.0238	3.7575	3.1250	3.1250
H4	1.2017	2.5184	2.0238		2.0238	3.1250	3.1250	3.7575
H5	1.2017	2.5184	2.0238	2.0238		3.1250	3.7575	3.1250
H6	2.8830	1.4025	3.7575	3.1250	3.1250		2.1510	2.1510
H7	2.8830	1.4025	3.1250	3.1250	3.7575	2.1510		2.1510
H8	2.8830	1.4025	3.1250	3.7575	3.1250	2.1510	2.1510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.687	B1	P2	H7	117.687
B1	P2	H8	117.687	P2	B1	H3	103.513
P2	B1	H4	103.513	P2	B1	H5	103.513
H3	B1	H4	114.715	H3	B1	H5	114.715
H4	B1	H5	114.715	H6	P2	H7	100.147
H6	P2	H8	100.147	H7	P2	H8	100.147

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

using model chemistry: MP2=FULL/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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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: MP2=FULL/TZVP

States and conformations

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