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	hartrees
Energy at 0K	-368.923235
Energy at 298.15K	-368.929645
HF Energy	-368.783127
Nuclear repulsion energy	57.056151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2509	2384	52.51
2	A₁	2403	2283	44.83
3	A₁	1163	1105	124.92
4	A₁	1024	973	152.41
5	A₁	412	391	11.83
6	A₂	215	205	0.00
7	E	2601	2471	150.95
7	E	2601	2471	150.95
8	E	2429	2308	42.03
8	E	2429	2308	42.03
9	E	1205	1145	7.69
9	E	1205	1145	7.69
10	E	1122	1066	12.75
10	E	1122	1066	12.75
11	E	894	849	0.11
11	E	894	849	0.11
12	E	383	364	0.63
12	E	383	364	0.63

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.475
P2	0.000	0.000	0.591
H3	0.000	-1.180	-1.747
H4	-1.022	0.590	-1.747
H5	1.022	0.590	-1.747
H6	0.000	1.268	1.249
H7	-1.098	-0.634	1.249
H8	1.098	-0.634	1.249

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0668	1.2106	1.2106	1.2106	3.0053	3.0053	3.0053
P2	2.0668		2.6194	2.6194	2.6194	1.4282	1.4282	1.4282
H3	1.2106	2.6194		2.0432	2.0432	3.8691	3.2379	3.2379
H4	1.2106	2.6194	2.0432		2.0432	3.2379	3.2379	3.8691
H5	1.2106	2.6194	2.0432	2.0432		3.2379	3.8691	3.2379
H6	3.0053	1.4282	3.8691	3.2379	3.2379		2.1954	2.1954
H7	3.0053	1.4282	3.2379	3.2379	3.8691	2.1954		2.1954
H8	3.0053	1.4282	3.2379	3.8691	3.2379	2.1954	2.1954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.438	B1	P2	H7	117.438
B1	P2	H8	117.438	P2	B1	H3	102.982
P2	B1	H4	102.982	P2	B1	H5	102.982
H3	B1	H4	115.106	H3	B1	H5	115.106
H4	B1	H5	115.106	H6	P2	H7	100.457
H6	P2	H8	100.457	H7	P2	H8	100.457

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

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

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