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	hartrees
Energy at 0K	-369.582247
Energy at 298.15K	-369.588812
HF Energy	-369.497617
Nuclear repulsion energy	59.000025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2538	2538	32.18
2	A₁	2517	2517	47.99
3	A₁	1140	1140	12.29
4	A₁	1065	1065	225.16
5	A₁	512	512	0.32
6	A₂	253	253	0.00
7	E	2603	2603	139.34
7	E	2603	2603	139.37
8	E	2550	2550	17.00
8	E	2550	2550	17.02
9	E	1189	1189	8.36
9	E	1189	1189	8.36
10	E	1162	1162	7.74
10	E	1161	1161	7.74
11	E	872	872	2.78
11	E	872	872	2.78
12	E	393	393	0.90
12	E	393	393	0.90

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.558
H3	0.000	-1.170	-1.679
H4	-1.013	0.585	-1.679
H5	1.013	0.585	-1.679
H6	0.000	1.239	1.217
H7	-1.073	-0.619	1.217
H8	1.073	-0.619	1.217

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9553	1.2032	1.2032	1.2032	2.8932	2.8932	2.8932
P2	1.9553		2.5243	2.5243	2.5243	1.4031	1.4031	1.4031
H3	1.2032	2.5243		2.0261	2.0261	3.7667	3.1371	3.1371
H4	1.2032	2.5243	2.0261		2.0261	3.1371	3.1371	3.7667
H5	1.2032	2.5243	2.0261	2.0261		3.1371	3.7667	3.1371
H6	2.8932	1.4031	3.7667	3.1371	3.1371		2.1453	2.1453
H7	2.8932	1.4031	3.1371	3.1371	3.7667	2.1453		2.1453
H8	2.8932	1.4031	3.1371	3.7667	3.1371	2.1453	2.1453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.026	B1	P2	H7	118.026
B1	P2	H8	118.026	P2	B1	H3	103.534
P2	B1	H4	103.534	P2	B1	H5	103.534
H3	B1	H4	114.699	H3	B1	H5	114.699
H4	B1	H5	114.699	H6	P2	H7	99.720
H6	P2	H8	99.720	H7	P2	H8	99.720

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

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