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	hartrees
Energy at 0K	-369.108844
Energy at 298.15K	-369.115462
HF Energy	-368.877320
Nuclear repulsion energy	58.917857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2516	2328	30.64
2	A₁	2469	2285	59.18
3	A₁	1147	1061	10.37
4	A₁	1070	990	232.63
5	A₁	529	490	0.00
6	A₂	236	219	0.00
7	E	2551	2360	160.68
7	E	2551	2360	160.68
8	E	2521	2333	1.50
8	E	2521	2333	1.50
9	E	1187	1098	14.82
9	E	1187	1098	14.82
10	E	1170	1082	0.00
10	E	1170	1082	0.00
11	E	888	822	1.93
11	E	888	822	1.93
12	E	417	386	2.97
12	E	417	386	2.97

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.393
P2	0.000	0.000	0.561
H3	0.000	-1.173	-1.690
H4	-1.016	0.587	-1.690
H5	1.016	0.587	-1.690
H6	0.000	1.246	1.208
H7	-1.079	-0.623	1.208
H8	1.079	-0.623	1.208

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9538	1.2101	1.2101	1.2101	2.8838	2.8838	2.8838
P2	1.9538		2.5382	2.5382	2.5382	1.4039	1.4039	1.4039
H3	1.2101	2.5382		2.0318	2.0318	3.7747	3.1407	3.1407
H4	1.2101	2.5382	2.0318		2.0318	3.1407	3.1407	3.7747
H5	1.2101	2.5382	2.0318	2.0318		3.1407	3.7747	3.1407
H6	2.8838	1.4039	3.7747	3.1407	3.1407		2.1581	2.1581
H7	2.8838	1.4039	3.1407	3.1407	3.7747	2.1581		2.1581
H8	2.8838	1.4039	3.1407	3.7747	3.1407	2.1581	2.1581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.439	B1	P2	H7	117.439
B1	P2	H8	117.439	P2	B1	H3	104.208
P2	B1	H4	104.208	P2	B1	H5	104.208
H3	B1	H4	114.182	H3	B1	H5	114.182
H4	B1	H5	114.182	H6	P2	H7	100.457
H6	P2	H8	100.457	H7	P2	H8	100.457

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

using model chemistry: CISD/6-311G*

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/6-311G*

States and conformations

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