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	hartrees
Energy at 0K	-369.192445
Energy at 298.15K	-369.198916
HF Energy	-368.880102
Nuclear repulsion energy	58.480399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2516	2516	31.43
2	A₁	2477	2477	48.17
3	A₁	1108	1108	50.12
4	A₁	1018	1018	198.96
5	A₁	513	513	0.01
6	A₂	217	217	0.00
7	E	2564	2564	149.25
7	E	2564	2564	149.25
8	E	2531	2531	0.68
8	E	2531	2531	0.68
9	E	1171	1171	9.17
9	E	1171	1171	9.17
10	E	1142	1142	2.94
10	E	1142	1142	2.94
11	E	838	838	2.36
11	E	838	838	2.36
12	E	376	376	0.86
12	E	376	376	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.410
P2	0.000	0.000	0.563
H3	0.000	-1.184	-1.689
H4	-1.025	0.592	-1.689
H5	1.025	0.592	-1.689
H6	0.000	1.252	1.222
H7	-1.084	-0.626	1.222
H8	1.084	-0.626	1.222

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9732	1.2163	1.2163	1.2163	2.9148	2.9148	2.9148
P2	1.9732		2.5449	2.5449	2.5449	1.4149	1.4149	1.4149
H3	1.2163	2.5449		2.0502	2.0502	3.7963	3.1568	3.1568
H4	1.2163	2.5449	2.0502		2.0502	3.1568	3.1568	3.7963
H5	1.2163	2.5449	2.0502	2.0502		3.1568	3.7963	3.1568
H6	2.9148	1.4149	3.7963	3.1568	3.1568		2.1688	2.1688
H7	2.9148	1.4149	3.1568	3.1568	3.7963	2.1688		2.1688
H8	2.9148	1.4149	3.1568	3.7963	3.1568	2.1688	2.1688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.756	B1	P2	H7	117.756
B1	P2	H8	117.756	P2	B1	H3	103.291
P2	B1	H4	103.291	P2	B1	H5	103.291
H3	B1	H4	114.880	H3	B1	H5	114.880
H4	B1	H5	114.880	H6	P2	H7	100.060
H6	P2	H8	100.060	H7	P2	H8	100.060

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

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

States and conformations

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