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	hartrees
Energy at 0K	-369.381781
Energy at 298.15K
HF Energy	-368.908678
Nuclear repulsion energy	59.607367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2525	2525	22.03
2	A₁	2496	2496	49.76
3	A₁	1129	1129	21.78
4	A₁	1043	1043	201.83
5	A₁	554	554	2.41
6	A₂	247	247	0.00
7	E	2578	2578	126.57
7	E	2578	2578	126.57
8	E	2532	2532	5.13
8	E	2532	2532	5.13
9	E	1195	1195	4.76
9	E	1195	1195	4.76
10	E	1155	1155	6.36
10	E	1155	1155	6.36
11	E	857	857	3.67
11	E	857	857	3.67
12	E	386	386	0.92
12	E	386	386	0.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.373
P2	0.000	0.000	0.550
H3	0.000	-1.164	-1.662
H4	-1.008	0.582	-1.662
H5	1.008	0.582	-1.662
H6	0.000	1.236	1.200
H7	-1.070	-0.618	1.200
H8	1.070	-0.618	1.200

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9229	1.1988	1.1988	1.1988	2.8538	2.8538	2.8538
P2	1.9229		2.4990	2.4990	2.4990	1.3960	1.3960	1.3960
H3	1.1988	2.4990		2.0153	2.0153	3.7340	3.1031	3.1031
H4	1.1988	2.4990	2.0153		2.0153	3.1031	3.1031	3.7340
H5	1.1988	2.4990	2.0153	2.0153		3.1031	3.7340	3.1031
H6	2.8538	1.3960	3.7340	3.1031	3.1031		2.1402	2.1402
H7	2.8538	1.3960	3.1031	3.1031	3.7340	2.1402		2.1402
H8	2.8538	1.3960	3.1031	3.7340	3.1031	2.1402	2.1402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.731	B1	P2	H7	117.731
B1	P2	H8	117.731	P2	B1	H3	103.936
P2	B1	H4	103.936	P2	B1	H5	103.936
H3	B1	H4	114.393	H3	B1	H5	114.393
H4	B1	H5	114.393	H6	P2	H7	100.091
H6	P2	H8	100.091	H7	P2	H8	100.091

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

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

States and conformations

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