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	hartrees
Energy at 0K	-369.189698
Energy at 298.15K	-369.196177
HF Energy	-368.877375
Nuclear repulsion energy	58.440323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2511	2408
2	A₁	2473	2371
3	A₁	1108	1063
4	A₁	1027	985
5	A₁	518	497
6	A₂	234	224
7	E	2563	2458
7	E	2563	2458
8	E	2526	2422
8	E	2526	2422
9	E	1164	1116
9	E	1164	1116
10	E	1142	1095
10	E	1141	1094
11	E	840	805
11	E	840	805
12	E	372	357
12	E	372	356

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.409
P2	0.000	0.000	0.563
H3	0.000	-1.190	-1.689
H4	-1.030	0.595	-1.689
H5	1.030	0.595	-1.689
H6	0.000	1.251	1.225
H7	-1.084	-0.626	1.225
H8	1.084	-0.626	1.225

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9721	1.2221	1.2221	1.2221	2.9163	2.9163	2.9163
P2	1.9721		2.5465	2.5465	2.5465	1.4156	1.4156	1.4156
H3	1.2221	2.5465		2.0607	2.0607	3.8010	3.1594	3.1594
H4	1.2221	2.5465	2.0607		2.0608	3.1594	3.1594	3.8010
H5	1.2221	2.5465	2.0607	2.0608		3.1594	3.8010	3.1594
H6	2.9163	1.4156	3.8010	3.1594	3.1594		2.1670	2.1670
H7	2.9163	1.4156	3.1594	3.1594	3.8010	2.1670		2.1670
H8	2.9163	1.4156	3.1594	3.8010	3.1594	2.1670	2.1670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.893	B1	P2	H7	117.893
B1	P2	H8	117.893	P2	B1	H3	103.214
P2	B1	H4	103.214	P2	B1	H5	103.214
H3	B1	H4	114.937	H3	B1	H5	114.937
H4	B1	H5	114.937	H6	P2	H7	99.887
H6	P2	H8	99.887	H7	P2	H8	99.887

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVDZ

States and conformations

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