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	hartrees
Energy at 0K	-369.273654
Energy at 298.15K	-369.280256
HF Energy	-368.904694
Nuclear repulsion energy	59.732756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2553	2424	24.71
2	A₁	2525	2398	40.33
3	A₁	1122	1065	20.38
4	A₁	1036	983	194.27
5	A₁	571	543	4.18
6	A₂	253	241	0.00
7	E	2619	2487	112.84
7	E	2619	2487	112.84
8	E	2567	2437	5.33
8	E	2567	2437	5.33
9	E	1197	1137	4.40
9	E	1197	1137	4.40
10	E	1160	1101	6.19
10	E	1160	1101	6.19
11	E	854	810	4.13
11	E	854	810	4.13
12	E	387	368	0.65
12	E	387	368	0.65

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.369
P2	0.000	0.000	0.548
H3	0.000	-1.161	-1.654
H4	-1.006	0.581	-1.654
H5	1.006	0.581	-1.654
H6	0.000	1.236	1.198
H7	-1.070	-0.618	1.198
H8	1.070	-0.618	1.198

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9170	1.1959	1.1959	1.1959	2.8489	2.8489	2.8489
P2	1.9170		2.4894	2.4894	2.4894	1.3961	1.3961	1.3961
H3	1.1959	2.4894		2.0117	2.0117	3.7255	3.0942	3.0942
H4	1.1959	2.4894	2.0117		2.0117	3.0942	3.0942	3.7255
H5	1.1959	2.4894	2.0117	2.0117		3.0942	3.7255	3.0942
H6	2.8489	1.3961	3.7255	3.0942	3.0942		2.1400	2.1400
H7	2.8489	1.3961	3.0942	3.0942	3.7255	2.1400		2.1400
H8	2.8489	1.3961	3.0942	3.7255	3.0942	2.1400	2.1400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.751	B1	P2	H7	117.751
B1	P2	H8	117.751	P2	B1	H3	103.783
P2	B1	H4	103.783	P2	B1	H5	103.783
H3	B1	H4	114.510	H3	B1	H5	114.510
H4	B1	H5	114.510	H6	P2	H7	100.066
H6	P2	H8	100.066	H7	P2	H8	100.066

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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