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	hartrees
Energy at 0K	-369.186336
Energy at 298.15K	-369.192785
HF Energy	-368.880105
Nuclear repulsion energy	58.261104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2487	2487	30.04
2	A₁	2452	2452	52.16
3	A₁	1107	1107	58.85
4	A₁	1016	1016	196.58
5	A₁	498	498	0.11
6	A₂	214	214	0.00
7	E	2533	2533	154.72
7	E	2533	2533	154.72
8	E	2499	2499	1.19
8	E	2499	2499	1.19
9	E	1167	1167	9.21
9	E	1167	1167	9.21
10	E	1133	1133	3.55
10	E	1133	1133	3.55
11	E	838	838	1.97
11	E	838	838	1.97
12	E	374	374	0.91
12	E	374	374	0.91

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		1.9836	1.2195	1.2195	1.2195	2.9265	2.9265	2.9265
P2	1.9836		2.5548	2.5548	2.5548	1.4184	1.4184	1.4184
H3	1.2195	2.5548		2.0563	2.0563	3.8086	3.1677	3.1677
H4	1.2195	2.5548	2.0563		2.0563	3.1677	3.1677	3.8086
H5	1.2195	2.5548	2.0563	2.0563		3.1677	3.8086	3.1677
H6	2.9265	1.4184	3.8086	3.1677	3.1677		2.1745	2.1745
H7	2.9265	1.4184	3.1677	3.1677	3.8086	2.1745		2.1745
H8	2.9265	1.4184	3.1677	3.8086	3.1677	2.1745	2.1745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.730	B1	P2	H7	117.730
B1	P2	H8	117.730	P2	B1	H3	103.207
P2	B1	H4	103.207	P2	B1	H5	103.207
H3	B1	H4	114.942	H3	B1	H5	114.942
H4	B1	H5	114.942	H6	P2	H7	100.093
H6	P2	H8	100.093	H7	P2	H8	100.093

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

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

States and conformations

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