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	hartrees
Energy at 0K	-369.267286
Energy at 298.15K	-369.273805
HF Energy	-368.905396
Nuclear repulsion energy	59.053420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2492	2364
2	A₁	2460	2333
3	A₁	1109	1052
4	A₁	1028	975
5	A₁	528	501
6	A₂	239	227
7	E	2544	2413
7	E	2544	2413
8	E	2503	2374
8	E	2503	2374
9	E	1172	1112
9	E	1172	1112
10	E	1145	1086
10	E	1144	1085
11	E	843	800
11	E	843	800
12	E	379	360
12	E	379	360

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.392
P2	0.000	0.000	0.556
H3	0.000	-1.174	-1.672
H4	-1.017	0.587	-1.672
H5	1.017	0.587	-1.672
H6	0.000	1.243	1.212
H7	-1.077	-0.622	1.212
H8	1.077	-0.622	1.212

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9479	1.2071	1.2071	1.2071	2.8853	2.8853	2.8853
P2	1.9479		2.5182	2.5182	2.5182	1.4057	1.4057	1.4057
H3	1.2071	2.5182		2.0338	2.0338	3.7629	3.1273	3.1273
H4	1.2071	2.5182	2.0338		2.0338	3.1273	3.1273	3.7629
H5	1.2071	2.5182	2.0338	2.0338		3.1273	3.7629	3.1273
H6	2.8853	1.4057	3.7629	3.1273	3.1273		2.1535	2.1535
H7	2.8853	1.4057	3.1273	3.1273	3.7629	2.1535		2.1535
H8	2.8853	1.4057	3.1273	3.7629	3.1273	2.1535	2.1535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.812	B1	P2	H7	117.812
B1	P2	H8	117.812	P2	B1	H3	103.406
P2	B1	H4	103.406	P2	B1	H5	103.406
H3	B1	H4	114.794	H3	B1	H5	114.794
H4	B1	H5	114.794	H6	P2	H7	99.989
H6	P2	H8	99.989	H7	P2	H8	99.989

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

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