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	hartrees
Energy at 0K	-367.128632
Energy at 298.15K	-367.134933
HF Energy	-366.953599
Nuclear repulsion energy	56.729125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2486	2410	38.10
2	A₁	2317	2246	22.76
3	A₁	1134	1099	103.00
4	A₁	998	968	139.65
5	A₁	363	352	12.54
6	A₂	195	189	0.00
7	E	2581	2501	89.33
7	E	2581	2501	89.33
8	E	2323	2251	21.53
8	E	2323	2251	21.53
9	E	1178	1142	4.21
9	E	1178	1142	4.21
10	E	1122	1088	11.19
10	E	1122	1088	11.19
11	E	876	849	0.03
11	E	876	849	0.03
12	E	374	362	0.29
12	E	374	362	0.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.493
P2	0.000	0.000	0.597
H3	0.000	-1.186	-1.753
H4	-1.027	0.593	-1.753
H5	1.027	0.593	-1.753
H6	0.000	1.268	1.257
H7	-1.098	-0.634	1.257
H8	1.098	-0.634	1.257

	B1	P2	H3	H4	H5	H6	H7	H8
B1		2.0904	1.2145	1.2145	1.2145	3.0290	3.0290	3.0290
P2	2.0904		2.6323	2.6323	2.6323	1.4294	1.4294	1.4294
H3	1.2145	2.6323		2.0550	2.0550	3.8839	3.2516	3.2516
H4	1.2145	2.6323	2.0550		2.0550	3.2516	3.2516	3.8839
H5	1.2145	2.6323	2.0550	2.0550		3.2516	3.8839	3.2516
H6	3.0290	1.4294	3.8839	3.2516	3.2516		2.1956	2.1956
H7	3.0290	1.4294	3.2516	3.2516	3.8839	2.1956		2.1956
H8	3.0290	1.4294	3.2516	3.8839	3.2516	2.1956	2.1956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.525	B1	P2	H7	117.525
B1	P2	H8	117.525	P2	B1	H3	102.334
P2	B1	H4	102.334	P2	B1	H5	102.334
H3	B1	H4	115.566	H3	B1	H5	115.566
H4	B1	H5	115.566	H6	P2	H7	100.350
H6	P2	H8	100.350	H7	P2	H8	100.350

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

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

States and conformations

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