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	hartrees
Energy at 0K	-369.258605
Energy at 298.15K
HF Energy	-368.909077
Nuclear repulsion energy	59.197389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2516	2516	24.18
2	A₁	2470	2470	47.38
3	A₁	1124	1124	22.69
4	A₁	1043	1043	211.46
5	A₁	528	528	1.06
6	A₂	238	238	0.00
7	E	2553	2553	135.30
7	E	2553	2553	135.30
8	E	2522	2522	0.53
8	E	2522	2522	0.53
9	E	1183	1183	7.63
9	E	1183	1183	7.63
10	E	1158	1158	4.36
10	E	1158	1158	4.36
11	E	853	853	2.99
11	E	853	853	2.99
12	E	384	384	0.87
12	E	384	384	0.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.388
P2	0.000	0.000	0.555
H3	0.000	-1.172	-1.671
H4	-1.015	0.586	-1.671
H5	1.015	0.586	-1.671
H6	0.000	1.240	1.206
H7	-1.074	-0.620	1.206
H8	1.074	-0.620	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9430	1.2061	1.2061	1.2061	2.8752	2.8752	2.8752
P2	1.9430		2.5162	2.5162	2.5162	1.4005	1.4005	1.4005
H3	1.2061	2.5162		2.0305	2.0305	3.7548	3.1206	3.1206
H4	1.2061	2.5162	2.0305		2.0305	3.1206	3.1206	3.7548
H5	1.2061	2.5162	2.0305	2.0305		3.1206	3.7548	3.1206
H6	2.8752	1.4005	3.7548	3.1206	3.1206		2.1476	2.1476
H7	2.8752	1.4005	3.1206	3.1206	3.7548	2.1476		2.1476
H8	2.8752	1.4005	3.1206	3.7548	3.1206	2.1476	2.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.703	B1	P2	H7	117.703
B1	P2	H8	117.703	P2	B1	H3	103.592
P2	B1	H4	103.592	P2	B1	H5	103.592
H3	B1	H4	114.655	H3	B1	H5	114.655
H4	B1	H5	114.655	H6	P2	H7	100.126
H6	P2	H8	100.126	H7	P2	H8	100.126

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

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

States and conformations

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