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	hartrees
Energy at 0K	-369.189596
Energy at 298.15K	-369.196075
HF Energy	-368.877376
Nuclear repulsion energy	58.440437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2511	2419
2	A₁	2473	2382
3	A₁	1109	1068
4	A₁	1028	990
5	A₁	518	499
6	A₂	234	225
7	E	2563	2469
7	E	2563	2469
8	E	2526	2433
8	E	2526	2433
9	E	1164	1121
9	E	1164	1121
10	E	1142	1100
10	E	1141	1099
11	E	840	809
11	E	840	809
12	E	372	358
12	E	372	358

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.409
P2	0.000	0.000	0.563
H3	0.000	-1.190	-1.689
H4	-1.030	0.595	-1.689
H5	1.030	0.595	-1.689
H6	0.000	1.251	1.225
H7	-1.084	-0.626	1.225
H8	1.084	-0.626	1.225

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9721	1.2221	1.2221	1.2221	2.9163	2.9163	2.9163
P2	1.9721		2.5465	2.5465	2.5465	1.4156	1.4156	1.4156
H3	1.2221	2.5465		2.0607	2.0607	3.8010	3.1594	3.1594
H4	1.2221	2.5465	2.0607		2.0607	3.1594	3.1594	3.8010
H5	1.2221	2.5465	2.0607	2.0607		3.1594	3.8010	3.1594
H6	2.9163	1.4156	3.8010	3.1594	3.1594		2.1671	2.1671
H7	2.9163	1.4156	3.1594	3.1594	3.8010	2.1671		2.1671
H8	2.9163	1.4156	3.1594	3.8010	3.1594	2.1671	2.1671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.890	B1	P2	H7	117.890
B1	P2	H8	117.890	P2	B1	H3	103.214
P2	B1	H4	103.214	P2	B1	H5	103.214
H3	B1	H4	114.937	H3	B1	H5	114.937
H4	B1	H5	114.937	H6	P2	H7	99.891
H6	P2	H8	99.891	H7	P2	H8	99.891

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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