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	hartrees
Energy at 0K	-367.125261
Energy at 298.15K	-367.131608
HF Energy	-366.953793
Nuclear repulsion energy	56.947513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2520	2520	38.05
2	A₁	2361	2361	22.60
3	A₁	1149	1149	102.57
4	A₁	1011	1011	144.37
5	A₁	375	375	12.17
6	A₂	201	201	0.00
7	E	2617	2617	90.15
7	E	2617	2617	90.15
8	E	2368	2368	21.75
8	E	2368	2368	21.75
9	E	1192	1192	4.10
9	E	1192	1192	4.10
10	E	1137	1137	11.85
10	E	1137	1137	11.85
11	E	887	887	0.05
11	E	887	887	0.05
12	E	379	379	0.41
12	E	379	379	0.41

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.486
P2	0.000	0.000	0.594
H3	0.000	-1.183	-1.747
H4	-1.024	0.591	-1.747
H5	1.024	0.591	-1.747
H6	0.000	1.264	1.251
H7	-1.095	-0.632	1.251
H8	1.095	-0.632	1.251

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0799	1.2115	1.2115	1.2115	3.0148	3.0148	3.0148
P2	2.0799		2.6232	2.6232	2.6232	1.4249	1.4249	1.4249
H3	1.2115	2.6232		2.0488	2.0488	3.8703	3.2392	3.2392
H4	1.2115	2.6232	2.0488		2.0488	3.2392	3.2392	3.8703
H5	1.2115	2.6232	2.0488	2.0488		3.2392	3.8703	3.2392
H6	3.0148	1.4249	3.8703	3.2392	3.2392		2.1900	2.1900
H7	3.0148	1.4249	3.2392	3.2392	3.8703	2.1900		2.1900
H8	3.0148	1.4249	3.2392	3.8703	3.2392	2.1900	2.1900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.456	B1	P2	H7	117.456
B1	P2	H8	117.456	P2	B1	H3	102.466
P2	B1	H4	102.466	P2	B1	H5	102.466
H3	B1	H4	115.474	H3	B1	H5	115.474
H4	B1	H5	115.474	H6	P2	H7	100.435
H6	P2	H8	100.435	H7	P2	H8	100.435

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

using model chemistry: MP3=FULL/3-21G

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/3-21G

States and conformations

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