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	hartrees
Energy at 0K	-369.445002
Energy at 298.15K	-369.451544
HF Energy	-368.903336
Nuclear repulsion energy	59.394444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2512	2512
2	A₁	2480	2480
3	A₁	1116	1116
4	A₁	1038	1038
5	A₁	542	542
6	A₂	245	245
7	E	2562	2562
7	E	2562	2562
8	E	2519	2519
8	E	2519	2519
9	E	1179	1179
9	E	1179	1179
10	E	1151	1151
10	E	1151	1151
11	E	847	847
11	E	847	847
12	E	383	383
12	E	383	383

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.380
P2	0.000	0.000	0.552
H3	0.000	-1.169	-1.663
H4	-1.013	0.585	-1.663
H5	1.013	0.585	-1.663
H6	0.000	1.238	1.205
H7	-1.072	-0.619	1.205
H8	1.072	-0.619	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9323	1.2028	1.2028	1.2028	2.8666	2.8666	2.8666
P2	1.9323		2.5045	2.5045	2.5045	1.3999	1.3999	1.3999
H3	1.2028	2.5045		2.0250	2.0250	3.7444	3.1109	3.1109
H4	1.2028	2.5045	2.0250		2.0250	3.1109	3.1109	3.7445
H5	1.2028	2.5045	2.0250	2.0250		3.1109	3.7445	3.1109
H6	2.8666	1.3999	3.7444	3.1109	3.1109		2.1448	2.1448
H7	2.8666	1.3999	3.1109	3.1109	3.7445	2.1448		2.1448
H8	2.8666	1.3999	3.1109	3.7445	3.1109	2.1448	2.1448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.807	B1	P2	H7	117.807
B1	P2	H8	117.807	P2	B1	H3	103.590
P2	B1	H4	103.590	P2	B1	H5	103.590
H3	B1	H4	114.657	H3	B1	H5	114.657
H4	B1	H5	114.657	H6	P2	H7	99.996
H6	P2	H8	99.996	H7	P2	H8	99.996

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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