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	hartrees
Energy at 0K	-369.208129
Energy at 298.15K	-369.214561
HF Energy	-368.879989
Nuclear repulsion energy	58.367447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2481	2481
2	A₁	2448	2448
3	A₁	1097	1097
4	A₁	1009	1009
5	A₁	509	509
6	A₂	212	212
7	E	2531	2531
7	E	2531	2531
8	E	2496	2496
8	E	2496	2496
9	E	1159	1159
9	E	1159	1159
10	E	1128	1128
10	E	1128	1128
11	E	828	828
11	E	828	828
12	E	369	369
12	E	369	369

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.412
P2	0.000	0.000	0.564
H3	0.000	-1.187	-1.691
H4	-1.028	0.593	-1.691
H5	1.028	0.593	-1.691
H6	0.000	1.254	1.226
H7	-1.086	-0.627	1.226
H8	1.086	-0.627	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9758	1.2193	1.2193	1.2193	2.9215	2.9215	2.9215
P2	1.9758		2.5484	2.5484	2.5484	1.4186	1.4186	1.4186
H3	1.2193	2.5484		2.0558	2.0558	3.8044	3.1634	3.1634
H4	1.2193	2.5484	2.0558		2.0558	3.1634	3.1634	3.8044
H5	1.2193	2.5484	2.0558	2.0558		3.1634	3.8044	3.1634
H6	2.9215	1.4186	3.8044	3.1634	3.1634		2.1726	2.1726
H7	2.9215	1.4186	3.1634	3.1634	3.8044	2.1726		2.1726
H8	2.9215	1.4186	3.1634	3.8044	3.1634	2.1726	2.1726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.848	B1	P2	H7	117.848
B1	P2	H8	117.848	P2	B1	H3	103.243
P2	B1	H4	103.243	P2	B1	H5	103.243
H3	B1	H4	114.916	H3	B1	H5	114.916
H4	B1	H5	114.916	H6	P2	H7	99.944
H6	P2	H8	99.944	H7	P2	H8	99.944

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

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

States and conformations

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