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	hartrees
Energy at 0K	-369.757865
Energy at 298.15K	-369.764288
HF Energy	-369.757865
Nuclear repulsion energy	58.616511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2442	2394	70.76
2	A₁	2408	2361	39.95
3	A₁	1087	1066	0.01
4	A₁	1023	1003	215.37
5	A₁	495	486	1.13
6	A₂	242	237	0.00
7	E	2495	2446	165.47
7	E	2495	2446	165.46
8	E	2450	2402	14.85
8	E	2450	2402	14.86
9	E	1138	1116	11.35
9	E	1138	1116	11.36
10	E	1117	1095	1.00
10	E	1117	1095	1.00
11	E	832	816	2.59
11	E	832	816	2.58
12	E	372	365	0.06
12	E	372	365	0.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.402
P2	0.000	0.000	0.557
H3	0.000	-1.184	-1.685
H4	-1.026	0.592	-1.685
H5	1.026	0.592	-1.685
H6	0.000	1.245	1.236
H7	-1.078	-0.622	1.236
H8	1.078	-0.622	1.236

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9591	1.2178	1.2178	1.2178	2.9168	2.9168	2.9168
P2	1.9591		2.5361	2.5361	2.5361	1.4177	1.4177	1.4177
H3	1.2178	2.5361		2.0513	2.0513	3.7992	3.1642	3.1642
H4	1.2178	2.5361	2.0513		2.0513	3.1642	3.1642	3.7992
H5	1.2178	2.5361	2.0513	2.0513		3.1642	3.7992	3.1642
H6	2.9168	1.4177	3.7992	3.1642	3.1642		2.1556	2.1556
H7	2.9168	1.4177	3.1642	3.1642	3.7992	2.1556		2.1556
H8	2.9168	1.4177	3.1642	3.7992	3.1642	2.1556	2.1556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	118.610	B1	P2	H7	118.610
B1	P2	H8	118.610	P2	B1	H3	103.458
P2	B1	H4	103.458	P2	B1	H5	103.458
H3	B1	H4	114.756	H3	B1	H5	114.756
H4	B1	H5	114.756	H6	P2	H7	98.978
H6	P2	H8	98.978	H7	P2	H8	98.978

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

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	B	-0.190
2	P	0.112
3	H	-0.032
4	H	-0.032
5	H	-0.032
6	H	0.058
7	H	0.058
8	H	0.058

<r²>	51.535
(<r²>)^1/2	7.179

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

using model chemistry: B97D3/6-31G*

States and conformations

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