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	hartrees
Energy at 0K	-369.217700
Energy at 298.15K	-369.224293
HF Energy	-368.903592
Nuclear repulsion energy	59.336988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2573	2573	24.62
2	A₁	2514	2514	50.66
3	A₁	1152	1152	25.31
4	A₁	1070	1070	220.96
5	A₁	530	530	0.82
6	A₂	243	243	0.00
7	E	2599	2599	148.33
7	E	2599	2599	148.33
8	E	2576	2576	2.09
8	E	2576	2576	2.09
9	E	1209	1209	9.05
9	E	1209	1209	9.05
10	E	1185	1185	4.52
10	E	1185	1185	4.52
11	E	872	872	3.75
11	E	872	872	3.75
12	E	396	396	1.13
12	E	396	396	1.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.386
P2	0.000	0.000	0.556
H3	0.000	-1.168	-1.669
H4	-1.012	0.584	-1.669
H5	1.012	0.584	-1.669
H6	0.000	1.237	1.201
H7	-1.071	-0.618	1.201
H8	1.071	-0.618	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9412	1.2021	1.2021	1.2021	2.8667	2.8667	2.8667
P2	1.9412		2.5129	2.5129	2.5129	1.3947	1.3947	1.3947
H3	1.2021	2.5129		2.0233	2.0233	3.7442	3.1121	3.1121
H4	1.2021	2.5129	2.0233		2.0233	3.1121	3.1121	3.7442
H5	1.2021	2.5129	2.0233	2.0233		3.1121	3.7442	3.1121
H6	2.8667	1.3947	3.7442	3.1121	3.1121		2.1420	2.1420
H7	2.8667	1.3947	3.1121	3.1121	3.7442	2.1420		2.1420
H8	2.8667	1.3947	3.1121	3.7442	3.1121	2.1420	2.1420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.543	B1	P2	H7	117.543
B1	P2	H8	117.543	P2	B1	H3	103.646
P2	B1	H4	103.646	P2	B1	H5	103.646
H3	B1	H4	114.614	H3	B1	H5	114.614
H4	B1	H5	114.614	H6	P2	H7	100.327
H6	P2	H8	100.327	H7	P2	H8	100.327

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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