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	hartrees
Energy at 0K	-369.112418
Energy at 298.15K	-369.118998
HF Energy	-368.852333
Nuclear repulsion energy	58.876913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2530	2433
2	A₁	2506	2409
3	A₁	1141	1097
4	A₁	1060	1019
5	A₁	532	512
6	A₂	255	245
7	E	2596	2497
7	E	2596	2496
8	E	2544	2446
8	E	2544	2446
9	E	1179	1134
9	E	1179	1134
10	E	1144	1100
10	E	1143	1099
11	E	882	848
11	E	882	848
12	E	399	384
12	E	399	384

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.394
P2	0.000	0.000	0.558
H3	0.000	-1.175	-1.683
H4	-1.018	0.588	-1.683
H5	1.018	0.588	-1.683
H6	0.000	1.247	1.217
H7	-1.080	-0.623	1.217
H8	1.080	-0.623	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9513	1.2107	1.2107	1.2107	2.8933	2.8933	2.8933
P2	1.9513		2.5306	2.5306	2.5306	1.4105	1.4105	1.4105
H3	1.2107	2.5306		2.0360	2.0360	3.7791	3.1440	3.1440
H4	1.2107	2.5306	2.0360		2.0360	3.1440	3.1440	3.7791
H5	1.2107	2.5306	2.0360	2.0360		3.1440	3.7791	3.1440
H6	2.8933	1.4105	3.7791	3.1440	3.1440		2.1593	2.1593
H7	2.8933	1.4105	3.1440	3.1440	3.7791	2.1593		2.1593
H8	2.8933	1.4105	3.1440	3.7791	3.1440	2.1593	2.1593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.886	B1	P2	H7	117.886
B1	P2	H8	117.886	P2	B1	H3	103.849
P2	B1	H4	103.849	P2	B1	H5	103.849
H3	B1	H4	114.460	H3	B1	H5	114.460
H4	B1	H5	114.460	H6	P2	H7	99.896
H6	P2	H8	99.896	H7	P2	H8	99.896

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

using model chemistry: MP4=FULL/6-31G*

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: MP4=FULL/6-31G*

States and conformations

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