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	hartrees
Energy at 0K	-369.101447
Energy at 298.15K	-369.108082
HF Energy	-368.861971
Nuclear repulsion energy	59.222268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2436	29.46
2	A₁	2560	2398	47.10
3	A₁	1169	1095	21.64
4	A₁	1086	1017	230.99
5	A₁	536	502	0.30
6	A₂	262	245	0.00
7	E	2658	2489	139.80
7	E	2658	2489	139.80
8	E	2617	2451	12.01
8	E	2617	2451	12.01
9	E	1214	1137	9.00
9	E	1214	1137	9.00
10	E	1182	1107	10.98
10	E	1182	1107	10.98
11	E	894	837	2.39
11	E	894	837	2.39
12	E	401	375	1.99
12	E	401	375	1.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.392
P2	0.000	0.000	0.558
H3	0.000	-1.167	-1.674
H4	-1.010	0.583	-1.674
H5	1.010	0.583	-1.674
H6	0.000	1.236	1.206
H7	-1.070	-0.618	1.206
H8	1.070	-0.618	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9491	1.2005	1.2005	1.2005	2.8765	2.8765	2.8765
P2	1.9491		2.5183	2.5183	2.5183	1.3954	1.3954	1.3954
H3	1.2005	2.5183		2.0209	2.0209	3.7506	3.1213	3.1213
H4	1.2005	2.5183	2.0209		2.0209	3.1213	3.1213	3.7506
H5	1.2005	2.5183	2.0209	2.0209		3.1213	3.7506	3.1213
H6	2.8765	1.3954	3.7506	3.1213	3.1213		2.1400	2.1400
H7	2.8765	1.3954	3.1213	3.1213	3.7506	2.1400		2.1400
H8	2.8765	1.3954	3.1213	3.7506	3.1213	2.1400	2.1400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.695	B1	P2	H7	117.695
B1	P2	H8	117.695	P2	B1	H3	103.616
P2	B1	H4	103.616	P2	B1	H5	103.616
H3	B1	H4	114.637	H3	B1	H5	114.637
H4	B1	H5	114.637	H6	P2	H7	100.136
H6	P2	H8	100.136	H7	P2	H8	100.136

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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