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	hartrees
Energy at 0K	-369.196925
Energy at 298.15K	-369.203451
HF Energy	-368.872561
Nuclear repulsion energy	58.968600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2532	2399	15.71
2	A₁	2515	2383	46.48
3	A₁	1137	1077	33.61
4	A₁	1053	997	193.37
5	A₁	513	486	0.35
6	A₂	236	224	0.00
7	E	2606	2469	103.45
7	E	2606	2469	103.45
8	E	2542	2408	10.18
8	E	2542	2408	10.18
9	E	1191	1128	7.10
9	E	1191	1128	7.10
10	E	1163	1102	5.75
10	E	1163	1102	5.75
11	E	863	817	3.83
11	E	863	817	3.83
12	E	383	363	0.37
12	E	383	363	0.37

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.399
P2	0.000	0.000	0.559
H3	0.000	-1.172	-1.678
H4	-1.015	0.586	-1.678
H5	1.015	0.586	-1.678
H6	0.000	1.240	1.214
H7	-1.074	-0.620	1.214
H8	1.074	-0.620	1.214

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9577	1.2049	1.2049	1.2049	2.8924	2.8924	2.8924
P2	1.9577		2.5251	2.5251	2.5251	1.4026	1.4026	1.4026
H3	1.2049	2.5251		2.0304	2.0304	3.7659	3.1338	3.1338
H4	1.2049	2.5251	2.0304		2.0304	3.1338	3.1338	3.7659
H5	1.2049	2.5251	2.0304	2.0304		3.1338	3.7659	3.1338
H6	2.8924	1.4026	3.7659	3.1338	3.1338		2.1479	2.1479
H7	2.8924	1.4026	3.1338	3.1338	3.7659	2.1479		2.1479
H8	2.8924	1.4026	3.1338	3.7659	3.1338	2.1479	2.1479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.855	B1	P2	H7	117.855
B1	P2	H8	117.855	P2	B1	H3	103.376
P2	B1	H4	103.376	P2	B1	H5	103.376
H3	B1	H4	114.817	H3	B1	H5	114.817
H4	B1	H5	114.817	H6	P2	H7	99.935
H6	P2	H8	99.935	H7	P2	H8	99.935

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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