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	hartrees
Energy at 0K	-369.187267
Energy at 298.15K	-369.193758
HF Energy	-368.877403
Nuclear repulsion energy	58.485457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2525	2437
2	A₁	2483	2396
3	A₁	1110	1072
4	A₁	1030	994
5	A₁	520	502
6	A₂	236	228
7	E	2577	2487
7	E	2577	2487
8	E	2541	2452
8	E	2541	2452
9	E	1167	1126
9	E	1167	1126
10	E	1146	1106
10	E	1146	1106
11	E	842	812
11	E	842	812
12	E	373	360
12	E	373	360

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.409
P2	0.000	0.000	0.562
H3	0.000	-1.189	-1.687
H4	-1.030	0.594	-1.687
H5	1.030	0.594	-1.687
H6	0.000	1.250	1.224
H7	-1.083	-0.625	1.224
H8	1.083	-0.625	1.224

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9708	1.2212	1.2212	1.2212	2.9141	2.9141	2.9141
P2	1.9708		2.5446	2.5446	2.5446	1.4143	1.4143	1.4143
H3	1.2212	2.5446		2.0592	2.0592	3.7979	3.1569	3.1569
H4	1.2212	2.5446	2.0592		2.0592	3.1569	3.1569	3.7979
H5	1.2212	2.5446	2.0592	2.0592		3.1569	3.7979	3.1569
H6	2.9141	1.4143	3.7979	3.1569	3.1569		2.1650	2.1650
H7	2.9141	1.4143	3.1569	3.1569	3.7979	2.1650		2.1650
H8	2.9141	1.4143	3.1569	3.7979	3.1569	2.1650	2.1650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.891	B1	P2	H7	117.891
B1	P2	H8	117.891	P2	B1	H3	103.203
P2	B1	H4	103.203	P2	B1	H5	103.203
H3	B1	H4	114.945	H3	B1	H5	114.945
H4	B1	H5	114.945	H6	P2	H7	99.890
H6	P2	H8	99.890	H7	P2	H8	99.890

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

using model chemistry: MP4=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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