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	hartrees
Energy at 0K	-369.265855
Energy at 298.15K	-369.272378
HF Energy	-368.903426
Nuclear repulsion energy	59.238331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2504	2504
2	A₁	2465	2465
3	A₁	1112	1112
4	A₁	1035	1035
5	A₁	537	537
6	A₂	242	242
7	E	2549	2549
7	E	2549	2549
8	E	2511	2511
8	E	2511	2511
9	E	1172	1172
9	E	1172	1172
10	E	1149	1149
10	E	1149	1149
11	E	844	844
11	E	844	844
12	E	380	380
12	E	380	380

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
P2	0.000	0.000	0.554
H3	0.000	-1.174	-1.667
H4	-1.017	0.587	-1.667
H5	1.017	0.587	-1.667
H6	0.000	1.240	1.207
H7	-1.074	-0.620	1.207
H8	1.074	-0.620	1.207

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9383	1.2072	1.2072	1.2072	2.8737	2.8737	2.8737
P2	1.9383		2.5116	2.5116	2.5116	1.4022	1.4022	1.4022
H3	1.2072	2.5116		2.0331	2.0331	3.7536	3.1179	3.1179
H4	1.2072	2.5116	2.0331		2.0331	3.1179	3.1179	3.7536
H5	1.2072	2.5116	2.0331	2.0331		3.1179	3.7536	3.1179
H6	2.8737	1.4022	3.7536	3.1179	3.1179		2.1484	2.1484
H7	2.8737	1.4022	3.1179	3.1179	3.7536	2.1484		2.1484
H8	2.8737	1.4022	3.1179	3.7536	3.1179	2.1484	2.1484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.794	B1	P2	H7	117.794
B1	P2	H8	117.794	P2	B1	H3	103.511
P2	B1	H4	103.511	P2	B1	H5	103.511
H3	B1	H4	114.717	H3	B1	H5	114.717
H4	B1	H5	114.716	H6	P2	H7	100.011
H6	P2	H8	100.011	H7	P2	H8	100.011

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

using model chemistry: CCSD(T)/Def2TZVPP

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: CCSD(T)/Def2TZVPP

States and conformations

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