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	hartrees
Energy at 0K	-369.186648
Energy at 298.15K	-369.193097
HF Energy	-368.880100
Nuclear repulsion energy	58.261449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2486	2486	30.59
2	A₁	2450	2450	52.37
3	A₁	1106	1106	58.09
4	A₁	1015	1015	196.59
5	A₁	499	499	0.09
6	A₂	214	214	0.00
7	E	2532	2532	154.66
7	E	2532	2532	154.66
8	E	2498	2498	1.14
8	E	2498	2498	1.14
9	E	1167	1167	9.20
9	E	1167	1167	9.20
10	E	1133	1133	3.54
10	E	1133	1133	3.54
11	E	838	838	1.96
11	E	838	838	1.96
12	E	374	374	0.89
12	E	374	374	0.89

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.417
P2	0.000	0.000	0.566
H3	0.000	-1.187	-1.696
H4	-1.028	0.594	-1.696
H5	1.028	0.594	-1.696
H6	0.000	1.255	1.226
H7	-1.087	-0.628	1.226
H8	1.087	-0.628	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9834	1.2195	1.2195	1.2195	2.9265	2.9265	2.9265
P2	1.9834		2.5548	2.5548	2.5548	1.4184	1.4184	1.4184
H3	1.2195	2.5548		2.0564	2.0564	3.8087	3.1678	3.1678
H4	1.2195	2.5548	2.0564		2.0564	3.1678	3.1678	3.8087
H5	1.2195	2.5548	2.0564	2.0564		3.1678	3.8087	3.1678
H6	2.9265	1.4184	3.8087	3.1678	3.1678		2.1745	2.1745
H7	2.9265	1.4184	3.1678	3.1678	3.8087	2.1745		2.1745
H8	2.9265	1.4184	3.1678	3.8087	3.1678	2.1745	2.1745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.736	B1	P2	H7	117.736
B1	P2	H8	117.736	P2	B1	H3	103.210
P2	B1	H4	103.210	P2	B1	H5	103.210
H3	B1	H4	114.940	H3	B1	H5	114.940
H4	B1	H5	114.940	H6	P2	H7	100.085
H6	P2	H8	100.085	H7	P2	H8	100.085

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

using model chemistry: QCISD/daug-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: QCISD/daug-cc-pVDZ

States and conformations

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