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	hartrees
Energy at 0K	-369.259023
Energy at 298.15K
HF Energy	-368.909069
Nuclear repulsion energy	59.197922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2515	2401	24.68
2	A₁	2468	2356	47.51
3	A₁	1123	1072	21.91
4	A₁	1043	996	211.46
5	A₁	529	505	1.13
6	A₂	238	227	0.00
7	E	2551	2436	135.43
7	E	2551	2436	135.43
8	E	2521	2407	0.47
8	E	2521	2407	0.47
9	E	1182	1128	7.62
9	E	1182	1128	7.62
10	E	1157	1105	4.34
10	E	1157	1105	4.34
11	E	852	813	2.98
11	E	852	813	2.98
12	E	383	366	0.85
12	E	383	366	0.85

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.387
P2	0.000	0.000	0.555
H3	0.000	-1.172	-1.671
H4	-1.015	0.586	-1.671
H5	1.015	0.586	-1.671
H6	0.000	1.240	1.207
H7	-1.074	-0.620	1.207
H8	1.074	-0.620	1.207

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9427	1.2062	1.2062	1.2062	2.8752	2.8752	2.8752
P2	1.9427		2.5162	2.5162	2.5162	1.4006	1.4006	1.4006
H3	1.2062	2.5162		2.0307	2.0307	3.7551	3.1208	3.1208
H4	1.2062	2.5162	2.0307		2.0307	3.1208	3.1208	3.7551
H5	1.2062	2.5162	2.0307	2.0307		3.1208	3.7551	3.1208
H6	2.8752	1.4006	3.7551	3.1208	3.1208		2.1476	2.1476
H7	2.8752	1.4006	3.1208	3.1208	3.7551	2.1476		2.1476
H8	2.8752	1.4006	3.1208	3.7551	3.1208	2.1476	2.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.714	B1	P2	H7	117.714
B1	P2	H8	117.714	P2	B1	H3	103.602
P2	B1	H4	103.602	P2	B1	H5	103.602
H3	B1	H4	114.648	H3	B1	H5	114.648
H4	B1	H5	114.648	H6	P2	H7	100.112
H6	P2	H8	100.112	H7	P2	H8	100.112

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

using model chemistry: QCISD/cc-pV(T+d)Z

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: QCISD/cc-pV(T+d)Z

States and conformations

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