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	hartrees
Energy at 0K	-367.115663
Energy at 298.15K	-367.121979
HF Energy	-366.954074
Nuclear repulsion energy	56.793045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2520	2373	39.45
2	A₁	2373	2234	23.98
3	A₁	1149	1082	112.10
4	A₁	1013	953	144.20
5	A₁	356	335	15.19
6	A₂	194	183	0.00
7	E	2614	2460	96.94
7	E	2614	2460	96.94
8	E	2376	2236	22.01
8	E	2376	2236	22.01
9	E	1196	1126	4.96
9	E	1196	1126	4.96
10	E	1147	1079	11.95
10	E	1147	1079	11.95
11	E	887	835	0.01
11	E	887	835	0.01
12	E	377	355	0.36
12	E	377	355	0.36

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.496
P2	0.000	0.000	0.599
H3	0.000	-1.183	-1.753
H4	-1.025	0.592	-1.753
H5	1.025	0.592	-1.753
H6	0.000	1.263	1.254
H7	-1.094	-0.632	1.254
H8	1.094	-0.632	1.254

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0944	1.2109	1.2109	1.2109	3.0259	3.0259	3.0259
P2	2.0944		2.6327	2.6327	2.6327	1.4232	1.4232	1.4232
H3	1.2109	2.6327		2.0494	2.0494	3.8766	3.2470	3.2470
H4	1.2109	2.6327	2.0494		2.0494	3.2470	3.2470	3.8766
H5	1.2109	2.6327	2.0494	2.0494		3.2470	3.8766	3.2470
H6	3.0259	1.4232	3.8766	3.2470	3.2470		2.1883	2.1883
H7	3.0259	1.4232	3.2470	3.2470	3.8766	2.1883		2.1883
H8	3.0259	1.4232	3.2470	3.8766	3.2470	2.1883	2.1883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.409	B1	P2	H7	117.409
B1	P2	H8	117.409	P2	B1	H3	102.273
P2	B1	H4	102.273	P2	B1	H5	102.273
H3	B1	H4	115.608	H3	B1	H5	115.608
H4	B1	H5	115.608	H6	P2	H7	100.494
H6	P2	H8	100.494	H7	P2	H8	100.494

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

using model chemistry: CISD/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: CISD/3-21G

States and conformations

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