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	hartrees
Energy at 0K	-369.185387
Energy at 298.15K	-369.191838
HF Energy	-368.879810
Nuclear repulsion energy	58.261184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2486	2409	29.01
2	A₁	2456	2379	53.53
3	A₁	1108	1073	60.30
4	A₁	1017	985	193.57
5	A₁	500	484	0.07
6	A₂	215	208	0.00
7	E	2536	2457	153.58
7	E	2536	2457	153.58
8	E	2500	2422	1.52
8	E	2500	2422	1.52
9	E	1166	1130	9.28
9	E	1166	1130	9.28
10	E	1135	1100	3.53
10	E	1135	1100	3.53
11	E	839	813	1.90
11	E	839	813	1.90
12	E	375	363	0.92
12	E	375	363	0.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.417
P2	0.000	0.000	0.566
H3	0.000	-1.188	-1.696
H4	-1.029	0.594	-1.696
H5	1.029	0.594	-1.696
H6	0.000	1.256	1.226
H7	-1.087	-0.628	1.226
H8	1.087	-0.628	1.226

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9830	1.2203	1.2203	1.2203	2.9260	2.9260	2.9260
P2	1.9830		2.5548	2.5548	2.5548	1.4185	1.4185	1.4185
H3	1.2203	2.5548		2.0577	2.0577	3.8089	3.1674	3.1674
H4	1.2203	2.5548	2.0577		2.0577	3.1674	3.1674	3.8089
H5	1.2203	2.5548	2.0577	2.0577		3.1674	3.8089	3.1674
H6	2.9260	1.4185	3.8089	3.1674	3.1674		2.1748	2.1748
H7	2.9260	1.4185	3.1674	3.1674	3.8089	2.1748		2.1749
H8	2.9260	1.4185	3.1674	3.8089	3.1674	2.1748	2.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.722	B1	P2	H7	117.722
B1	P2	H8	117.722	P2	B1	H3	103.206
P2	B1	H4	103.206	P2	B1	H5	103.206
H3	B1	H4	114.943	H3	B1	H5	114.943
H4	B1	H5	114.943	H6	P2	H7	100.102
H6	P2	H8	100.102	H7	P2	H8	100.102

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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