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	hartrees
Energy at 0K	-369.190824
Energy at 298.15K	-369.197293
HF Energy	-368.879810
Nuclear repulsion energy	58.475842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2517	2517	30.34
2	A₁	2483	2483	48.84
3	A₁	1109	1109	52.29
4	A₁	1022	1022	196.07
5	A₁	515	515	0.02
6	A₂	217	217	0.00
7	E	2567	2567	148.22
7	E	2567	2567	148.22
8	E	2533	2533	1.11
8	E	2533	2533	1.11
9	E	1171	1171	8.99
9	E	1171	1171	8.99
10	E	1143	1143	3.24
10	E	1143	1143	3.24
11	E	839	839	2.29
11	E	839	839	2.29
12	E	375	375	0.88
12	E	375	375	0.88

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.410
P2	0.000	0.000	0.563
H3	0.000	-1.185	-1.689
H4	-1.026	0.592	-1.689
H5	1.026	0.592	-1.689
H6	0.000	1.252	1.222
H7	-1.085	-0.626	1.222
H8	1.085	-0.626	1.222

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9729	1.2171	1.2171	1.2171	2.9146	2.9146	2.9146
P2	1.9729		2.5449	2.5449	2.5449	1.4151	1.4151	1.4151
H3	1.2171	2.5449		2.0518	2.0518	3.7967	3.1566	3.1566
H4	1.2171	2.5449	2.0518		2.0518	3.1566	3.1566	3.7967
H5	1.2171	2.5449	2.0518	2.0518		3.1566	3.7967	3.1566
H6	2.9146	1.4151	3.7967	3.1566	3.1566		2.1691	2.1691
H7	2.9146	1.4151	3.1566	3.1566	3.7967	2.1691		2.1691
H8	2.9146	1.4151	3.1566	3.7967	3.1566	2.1691	2.1691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.752	B1	P2	H7	117.752
B1	P2	H8	117.752	P2	B1	H3	103.275
P2	B1	H4	103.275	P2	B1	H5	103.275
H3	B1	H4	114.892	H3	B1	H5	114.892
H4	B1	H5	114.892	H6	P2	H7	100.064
H6	P2	H8	100.064	H7	P2	H8	100.064

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

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