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	hartrees
Energy at 0K	-367.283610
Energy at 298.15K	-367.290146
HF Energy	-367.068688
Nuclear repulsion energy	58.510255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2556	2445	18.29
2	A₁	2477	2369	38.63
3	A₁	1135	1086	27.53
4	A₁	1063	1017	180.38
5	A₁	479	458	0.95
6	A₂	230	220	0.00
7	E	2573	2461	85.59
7	E	2573	2461	85.59
8	E	2556	2445	7.16
8	E	2556	2445	7.16
9	E	1177	1126	5.08
9	E	1177	1126	5.08
10	E	1165	1114	7.76
10	E	1165	1114	7.76
11	E	885	847	0.59
11	E	885	847	0.59
12	E	406	388	1.73
12	E	406	388	1.73

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.410
P2	0.000	0.000	0.567
H3	0.000	-1.181	-1.703
H4	-1.023	0.591	-1.703
H5	1.023	0.591	-1.703
H6	0.000	1.244	1.221
H7	-1.077	-0.622	1.221
H8	1.077	-0.622	1.221

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9767	1.2171	1.2171	1.2171	2.9102	2.9102	2.9102
P2	1.9767		2.5587	2.5587	2.5587	1.4055	1.4055	1.4055
H3	1.2171	2.5587		2.0461	2.0461	3.7989	3.1659	3.1659
H4	1.2171	2.5587	2.0461		2.0461	3.1659	3.1659	3.7989
H5	1.2171	2.5587	2.0461	2.0461		3.1659	3.7989	3.1659
H6	2.9102	1.4055	3.7989	3.1659	3.1659		2.1545	2.1545
H7	2.9102	1.4055	3.1659	3.1659	3.7989	2.1545		2.1545
H8	2.9102	1.4055	3.1659	3.7989	3.1659	2.1545	2.1545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.745	B1	P2	H7	117.745
B1	P2	H8	117.745	P2	B1	H3	103.929
P2	B1	H4	103.929	P2	B1	H5	103.929
H3	B1	H4	114.398	H3	B1	H5	114.398
H4	B1	H5	114.398	H6	P2	H7	100.074
H6	P2	H8	100.074	H7	P2	H8	100.074

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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