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	hartrees
Energy at 0K	-369.205601
Energy at 298.15K	-369.212044
HF Energy	-368.880017
Nuclear repulsion energy	58.415434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2494	2494
2	A₁	2458	2458
3	A₁	1098	1098
4	A₁	1010	1010
5	A₁	512	512
6	A₂	214	214
7	E	2544	2544
7	E	2544	2544
8	E	2510	2510
8	E	2510	2510
9	E	1162	1162
9	E	1162	1162
10	E	1133	1133
10	E	1132	1132
11	E	830	830
11	E	830	830
12	E	370	370
12	E	370	370

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.411
P2	0.000	0.000	0.563
H3	0.000	-1.186	-1.690
H4	-1.027	0.593	-1.690
H5	1.027	0.593	-1.690
H6	0.000	1.253	1.225
H7	-1.085	-0.627	1.225
H8	1.085	-0.627	1.225

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9743	1.2184	1.2184	1.2184	2.9191	2.9191	2.9191
P2	1.9743		2.5463	2.5463	2.5463	1.4174	1.4174	1.4174
H3	1.2184	2.5463		2.0543	2.0543	3.8012	3.1606	3.1606
H4	1.2184	2.5463	2.0543		2.0543	3.1606	3.1606	3.8012
H5	1.2184	2.5463	2.0543	2.0543		3.1606	3.8012	3.1606
H6	2.9191	1.4174	3.8012	3.1606	3.1606		2.1706	2.1706
H7	2.9191	1.4174	3.1606	3.1606	3.8012	2.1706		2.1706
H8	2.9191	1.4174	3.1606	3.8012	3.1606	2.1706	2.1706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.849	B1	P2	H7	117.849
B1	P2	H8	117.849	P2	B1	H3	103.230
P2	B1	H4	103.230	P2	B1	H5	103.230
H3	B1	H4	114.925	H3	B1	H5	114.925
H4	B1	H5	114.925	H6	P2	H7	99.943
H6	P2	H8	99.943	H7	P2	H8	99.943

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

using model chemistry: MP4=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: MP4=FULL/daug-cc-pVDZ

States and conformations

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