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	hartrees
Energy at 0K	-369.209462
Energy at 298.15K	-369.216064
HF Energy	-368.902301
Nuclear repulsion energy	59.333552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2559	2359	26.97
2	A₁	2498	2303	48.11
3	A₁	1150	1060	29.05
4	A₁	1065	981	210.53
5	A₁	535	493	0.92
6	A₂	241	222	0.00
7	E	2582	2380	139.14
7	E	2582	2380	139.14
8	E	2561	2361	12.10
8	E	2561	2361	12.10
9	E	1205	1111	8.41
9	E	1205	1111	8.41
10	E	1181	1088	4.41
10	E	1181	1088	4.41
11	E	873	805	3.92
11	E	873	805	3.92
12	E	398	366	1.05
12	E	398	366	1.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.555
H3	0.000	-1.169	-1.669
H4	-1.012	0.584	-1.669
H5	1.012	0.584	-1.669
H6	0.000	1.237	1.201
H7	-1.071	-0.619	1.201
H8	1.071	-0.619	1.201

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9402	1.2026	1.2026	1.2026	2.8669	2.8669	2.8669
P2	1.9402		2.5125	2.5125	2.5125	1.3957	1.3957	1.3957
H3	1.2026	2.5125		2.0241	2.0241	3.7451	3.1127	3.1127
H4	1.2026	2.5125	2.0241		2.0241	3.1127	3.1127	3.7451
H5	1.2026	2.5125	2.0241	2.0241		3.1127	3.7451	3.1127
H6	2.8669	1.3957	3.7451	3.1127	3.1127		2.1428	2.1428
H7	2.8669	1.3957	3.1127	3.1127	3.7451	2.1428		2.1428
H8	2.8669	1.3957	3.1127	3.7451	3.1127	2.1428	2.1428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.574	B1	P2	H7	117.574
B1	P2	H8	117.574	P2	B1	H3	103.660
P2	B1	H4	103.660	P2	B1	H5	103.660
H3	B1	H4	114.604	H3	B1	H5	114.604
H4	B1	H5	114.604	H6	P2	H7	100.288
H6	P2	H8	100.288	H7	P2	H8	100.288

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

using model chemistry: CISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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