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	hartrees
Energy at 0K	-369.241090
Energy at 298.15K	-369.247650
HF Energy	-368.902238
Nuclear repulsion energy	59.233884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2514	2371	26.39
2	A₁	2468	2327	44.98
3	A₁	1127	1063	28.25
4	A₁	1044	984	202.70
5	A₁	535	505	1.10
6	A₂	239	225	0.00
7	E	2551	2406	137.97
7	E	2551	2406	137.97
8	E	2524	2380	0.01
8	E	2524	2380	0.01
9	E	1184	1116	7.44
9	E	1184	1116	7.44
10	E	1159	1093	4.06
10	E	1159	1093	4.06
11	E	858	809	3.65
11	E	858	809	3.65
12	E	390	368	0.86
12	E	390	368	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.386
P2	0.000	0.000	0.555
H3	0.000	-1.172	-1.669
H4	-1.015	0.586	-1.669
H5	1.015	0.586	-1.669
H6	0.000	1.240	1.206
H7	-1.074	-0.620	1.206
H8	1.074	-0.620	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9407	1.2060	1.2060	1.2060	2.8729	2.8729	2.8729
P2	1.9407		2.5141	2.5141	2.5141	1.4004	1.4004	1.4004
H3	1.2060	2.5141		2.0303	2.0303	3.7529	3.1183	3.1183
H4	1.2060	2.5141	2.0303		2.0303	3.1183	3.1183	3.7529
H5	1.2060	2.5141	2.0303	2.0303		3.1183	3.7529	3.1183
H6	2.8729	1.4004	3.7529	3.1183	3.1183		2.1477	2.1477
H7	2.8729	1.4004	3.1183	3.1183	3.7529	2.1477		2.1477
H8	2.8729	1.4004	3.1183	3.7529	3.1183	2.1477	2.1477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.696	B1	P2	H7	117.697
B1	P2	H8	117.697	P2	B1	H3	103.596
P2	B1	H4	103.596	P2	B1	H5	103.596
H3	B1	H4	114.652	H3	B1	H5	114.652
H4	B1	H5	114.652	H6	P2	H7	100.134
H6	P2	H8	100.134	H7	P2	H8	100.134

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

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

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