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	hartrees
Energy at 0K	-369.140700
Energy at 298.15K	-369.147304
HF Energy	-368.863947
Nuclear repulsion energy	59.086215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2590	2410	29.35
2	A₁	2545	2369	64.50
3	A₁	1160	1079	27.34
4	A₁	1077	1002	246.92
5	A₁	525	488	0.01
6	A₂	251	233	0.00
7	E	2635	2451	166.76
7	E	2635	2451	166.76
8	E	2602	2421	4.39
8	E	2602	2421	4.39
9	E	1202	1118	7.17
9	E	1202	1118	7.17
10	E	1171	1089	10.21
10	E	1171	1089	10.21
11	E	887	826	1.12
11	E	887	826	1.12
12	E	399	371	3.28
12	E	399	371	3.28

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.560
H3	0.000	-1.168	-1.680
H4	-1.011	0.584	-1.680
H5	1.011	0.584	-1.680
H6	0.000	1.237	1.207
H7	-1.071	-0.618	1.207
H8	1.071	-0.618	1.207

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9579	1.2014	1.2014	1.2014	2.8829	2.8829	2.8829
P2	1.9579		2.5264	2.5264	2.5264	1.3954	1.3954	1.3954
H3	1.2014	2.5264		2.0226	2.0226	3.7568	3.1274	3.1274
H4	1.2014	2.5264	2.0226		2.0226	3.1274	3.1274	3.7568
H5	1.2014	2.5264	2.0226	2.0226		3.1274	3.7568	3.1274
H6	2.8829	1.3954	3.7568	3.1274	3.1274		2.1420	2.1420
H7	2.8829	1.3954	3.1274	3.1274	3.7568	2.1420		2.1420
H8	2.8829	1.3954	3.1274	3.7568	3.1274	2.1420	2.1420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.589	B1	P2	H7	117.589
B1	P2	H8	117.589	P2	B1	H3	103.592
P2	B1	H4	103.592	P2	B1	H5	103.592
H3	B1	H4	114.655	H3	B1	H5	114.655
H4	B1	H5	114.655	H6	P2	H7	100.269
H6	P2	H8	100.269	H7	P2	H8	100.269

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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