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	hartrees
Energy at 0K	-367.134717
Energy at 298.15K	-367.141048
HF Energy	-366.953555
Nuclear repulsion energy	56.870875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2493	2440
2	A₁	2330	2281
3	A₁	1137	1113
4	A₁	1003	982
5	A₁	376	368
6	A₂	201	196
7	E	2590	2536
7	E	2590	2535
8	E	2337	2288
8	E	2337	2288
9	E	1181	1156
9	E	1180	1155
10	E	1126	1102
10	E	1125	1102
11	E	880	861
11	E	880	861
12	E	377	369
12	E	376	368

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.486
P2	0.000	0.000	0.594
H3	0.000	-1.186	-1.748
H4	-1.027	0.593	-1.748
H5	1.027	0.593	-1.748
H6	0.000	1.267	1.254
H7	-1.097	-0.633	1.254
H8	1.097	-0.633	1.254

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0808	1.2141	1.2141	1.2141	3.0191	3.0191	3.0191
P2	2.0808		2.6252	2.6252	2.6252	1.4282	1.4282	1.4282
H3	1.2141	2.6252		2.0534	2.0534	3.8763	3.2435	3.2435
H4	1.2141	2.6252	2.0534		2.0534	3.2435	3.2435	3.8763
H5	1.2141	2.6252	2.0534	2.0534		3.2435	3.8763	3.2435
H6	3.0191	1.4282	3.8763	3.2435	3.2435		2.1939	2.1939
H7	3.0191	1.4282	3.2435	3.2435	3.8763	2.1939		2.1939
H8	3.0191	1.4282	3.2435	3.8763	3.2435	2.1939	2.1939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.515	B1	P2	H7	117.515
B1	P2	H8	117.515	P2	B1	H3	102.438
P2	B1	H4	102.438	P2	B1	H5	102.438
H3	B1	H4	115.494	H3	B1	H5	115.494
H4	B1	H5	115.494	H6	P2	H7	100.362
H6	P2	H8	100.362	H7	P2	H8	100.362

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

using model chemistry: MP4=FULL/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: MP4=FULL/3-21G

States and conformations

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