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	hartrees
Energy at 0K	-369.165307
Energy at 298.15K	-369.171811
HF Energy	-368.877515
Nuclear repulsion energy	58.435046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2535	2402	24.59
2	A₁	2498	2368	57.51
3	A₁	1119	1060	27.63
4	A₁	1035	981	221.24
5	A₁	515	488	0.00
6	A₂	235	223	0.00
7	E	2591	2456	137.48
7	E	2591	2456	137.48
8	E	2549	2416	5.44
8	E	2549	2416	5.44
9	E	1174	1113	8.49
9	E	1174	1113	8.49
10	E	1154	1094	4.11
10	E	1154	1094	4.11
11	E	848	804	1.53
11	E	848	804	1.53
12	E	378	359	1.08
12	E	378	359	1.08

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.412
P2	0.000	0.000	0.564
H3	0.000	-1.188	-1.690
H4	-1.029	0.594	-1.690
H5	1.029	0.594	-1.690
H6	0.000	1.250	1.223
H7	-1.083	-0.625	1.223
H8	1.083	-0.625	1.223

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9757	1.2199	1.2199	1.2199	2.9168	2.9168	2.9168
P2	1.9757		2.5477	2.5477	2.5477	1.4137	1.4137	1.4137
H3	1.2199	2.5477		2.0572	2.0572	3.7990	3.1587	3.1587
H4	1.2199	2.5477	2.0572		2.0572	3.1587	3.1587	3.7990
H5	1.2199	2.5477	2.0572	2.0572		3.1587	3.7990	3.1587
H6	2.9168	1.4137	3.7990	3.1587	3.1587		2.1659	2.1659
H7	2.9168	1.4137	3.1587	3.1587	3.7990	2.1659		2.1659
H8	2.9168	1.4137	3.1587	3.7990	3.1587	2.1659	2.1659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.806	B1	P2	H7	117.806
B1	P2	H8	117.806	P2	B1	H3	103.184
P2	B1	H4	103.184	P2	B1	H5	103.184
H3	B1	H4	114.959	H3	B1	H5	114.959
H4	B1	H5	114.959	H6	P2	H7	99.997
H6	P2	H8	99.997	H7	P2	H8	99.997

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

using model chemistry: MP3/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/cc-pVDZ

States and conformations

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