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	hartrees
Energy at 0K	-367.290351
Energy at 298.15K	-367.296912
HF Energy	-367.068822
Nuclear repulsion energy	58.641422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2580	2580	18.06
2	A₁	2503	2503	38.39
3	A₁	1145	1145	28.45
4	A₁	1070	1070	181.71
5	A₁	486	486	0.56
6	A₂	235	235	0.00
7	E	2598	2598	91.23
7	E	2598	2598	91.23
8	E	2581	2581	5.23
8	E	2581	2581	5.23
9	E	1188	1188	4.60
9	E	1188	1188	4.60
10	E	1173	1173	8.57
10	E	1173	1173	8.57
11	E	890	890	0.62
11	E	890	890	0.62
12	E	407	407	1.77
12	E	407	407	1.77

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.407
P2	0.000	0.000	0.565
H3	0.000	-1.179	-1.698
H4	-1.021	0.589	-1.698
H5	1.021	0.589	-1.698
H6	0.000	1.241	1.218
H7	-1.075	-0.621	1.218
H8	1.075	-0.621	1.218

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9720	1.2143	1.2143	1.2143	2.9040	2.9040	2.9040
P2	1.9720		2.5521	2.5521	2.5521	1.4028	1.4028	1.4028
H3	1.2143	2.5521		2.0418	2.0418	3.7901	3.1583	3.1583
H4	1.2143	2.5521	2.0418		2.0418	3.1583	3.1583	3.7901
H5	1.2143	2.5521	2.0418	2.0418		3.1583	3.7901	3.1583
H6	2.9040	1.4028	3.7901	3.1583	3.1583		2.1503	2.1503
H7	2.9040	1.4028	3.1583	3.1583	3.7901	2.1503		2.1503
H8	2.9040	1.4028	3.1583	3.7901	3.1583	2.1503	2.1503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.753	B1	P2	H7	117.753
B1	P2	H8	117.753	P2	B1	H3	103.889
P2	B1	H4	103.889	P2	B1	H5	103.889
H3	B1	H4	114.430	H3	B1	H5	114.430
H4	B1	H5	114.430	H6	P2	H7	100.064
H6	P2	H8	100.064	H7	P2	H8	100.064

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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