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	hartrees
Energy at 0K	-367.639879
Energy at 298.15K
HF Energy	-367.591067
Nuclear repulsion energy	57.388665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2538	2538	34.67
2	A₁	2391	2391	28.49
3	A₁	1137	1137	91.35
4	A₁	1009	1009	136.69
5	A₁	395	395	6.31
6	A₂	203	203	0.00
7	E	2630	2630	97.23
7	E	2630	2630	97.23
8	E	2402	2402	23.81
8	E	2402	2402	23.82
9	E	1194	1194	3.33
9	E	1194	1194	3.33
10	E	1161	1161	10.83
10	E	1161	1161	10.84
11	E	882	882	0.09
11	E	882	882	0.09
12	E	386	386	0.12
12	E	386	386	0.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.468
P2	0.000	0.000	0.587
H3	0.000	-1.176	-1.734
H4	-1.018	0.588	-1.734
H5	1.018	0.588	-1.734
H6	0.000	1.258	1.244
H7	-1.090	-0.629	1.244
H8	1.090	-0.629	1.244

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0553	1.2051	1.2051	1.2051	2.9902	2.9902	2.9902
P2	2.0553		2.6015	2.6015	2.6015	1.4195	1.4195	1.4195
H3	1.2051	2.6015		2.0360	2.0360	3.8459	3.2178	3.2178
H4	1.2051	2.6015	2.0360		2.0360	3.2178	3.2178	3.8459
H5	1.2051	2.6015	2.0360	2.0360		3.2178	3.8459	3.2178
H6	2.9902	1.4195	3.8459	3.2178	3.2178		2.1791	2.1791
H7	2.9902	1.4195	3.2178	3.2178	3.8459	2.1791		2.1791
H8	2.9902	1.4195	3.2178	3.8459	3.2178	2.1791	2.1791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.585	B1	P2	H7	117.585
B1	P2	H8	117.585	P2	B1	H3	102.724
P2	B1	H4	102.724	P2	B1	H5	102.724
H3	B1	H4	115.292	H3	B1	H5	115.292
H4	B1	H5	115.292	H6	P2	H7	100.274
H6	P2	H8	100.274	H7	P2	H8	100.274

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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: B2PLYP=FULLultrafine/3-21G

States and conformations

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