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	hartrees
Energy at 0K	-369.220346
Energy at 298.15K	-369.226923
HF Energy	-368.905597
Nuclear repulsion energy	59.148896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2563	2383	24.48
2	A₁	2508	2332	52.34
3	A₁	1148	1068	35.30
4	A₁	1062	987	213.40
5	A₁	520	484	0.32
6	A₂	236	220	0.00
7	E	2592	2410	149.13
7	E	2592	2410	149.13
8	E	2569	2388	1.30
8	E	2569	2388	1.30
9	E	1207	1123	8.23
9	E	1207	1123	8.23
10	E	1180	1097	5.20
10	E	1180	1097	5.20
11	E	870	809	2.98
11	E	870	809	2.98
12	E	393	365	1.13
12	E	393	365	1.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.393
P2	0.000	0.000	0.558
H3	0.000	-1.169	-1.675
H4	-1.012	0.584	-1.675
H5	1.012	0.584	-1.675
H6	0.000	1.239	1.205
H7	-1.073	-0.620	1.205
H8	1.073	-0.620	1.205

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9512	1.2020	1.2020	1.2020	2.8782	2.8782	2.8782
P2	1.9512		2.5202	2.5202	2.5202	1.3979	1.3979	1.3979
H3	1.2020	2.5202		2.0240	2.0240	3.7536	3.1216	3.1216
H4	1.2020	2.5202	2.0240		2.0240	3.1216	3.1216	3.7536
H5	1.2020	2.5202	2.0240	2.0240		3.1216	3.7536	3.1216
H6	2.8782	1.3979	3.7536	3.1216	3.1216		2.1468	2.1468
H7	2.8782	1.3979	3.1216	3.1216	3.7536	2.1468		2.1468
H8	2.8782	1.3979	3.1216	3.7536	3.1216	2.1468	2.1468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.545	B1	P2	H7	117.545
B1	P2	H8	117.545	P2	B1	H3	103.554
P2	B1	H4	103.554	P2	B1	H5	103.554
H3	B1	H4	114.684	H3	B1	H5	114.684
H4	B1	H5	114.684	H6	P2	H7	100.324
H6	P2	H8	100.324	H7	P2	H8	100.324

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

using model chemistry: CISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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