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	hartrees
Energy at 0K	-369.395794
Energy at 298.15K
HF Energy	-368.908572
Nuclear repulsion energy	59.616402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2505	2505
2	A₁	2485	2485
3	A₁	1114	1114
4	A₁	1030	1030
5	A₁	561	561
6	A₂	250	250
7	E	2569	2569
7	E	2569	2569
8	E	2513	2513
8	E	2513	2513
9	E	1183	1183
9	E	1183	1183
10	E	1144	1144
10	E	1143	1143
11	E	846	846
11	E	846	846
12	E	379	379
12	E	379	379

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.371
P2	0.000	0.000	0.549
H3	0.000	-1.165	-1.659
H4	-1.009	0.582	-1.659
H5	1.009	0.582	-1.659
H6	0.000	1.236	1.202
H7	-1.071	-0.618	1.202
H8	1.071	-0.618	1.202

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9198	1.1999	1.1999	1.1999	2.8546	2.8546	2.8546
P2	1.9198		2.4961	2.4961	2.4961	1.3982	1.3982	1.3982
H3	1.1999	2.4961		2.0175	2.0175	3.7350	3.1032	3.1032
H4	1.1999	2.4961	2.0175		2.0175	3.1032	3.1032	3.7349
H5	1.1999	2.4961	2.0175	2.0175		3.1032	3.7349	3.1032
H6	2.8546	1.3982	3.7350	3.1032	3.1032		2.1412	2.1412
H7	2.8546	1.3982	3.1032	3.1032	3.7349	2.1412		2.1412
H8	2.8546	1.3982	3.1032	3.7349	3.1032	2.1412	2.1412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.852	B1	P2	H7	117.852
B1	P2	H8	117.852	P2	B1	H3	103.882
P2	B1	H4	103.882	P2	B1	H5	103.882
H3	B1	H4	114.435	H3	B1	H5	114.435
H4	B1	H5	114.435	H6	P2	H7	99.939
H6	P2	H8	99.939	H7	P2	H8	99.939

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

using model chemistry: QCISD(T)=FULL/cc-pV(T+d)Z

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-pV(T+d)Z

States and conformations

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