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	hartrees
Energy at 0K	-369.277112
Energy at 298.15K
HF Energy	-368.909286
Nuclear repulsion energy	59.184960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2492	2492
2	A₁	2455	2455
3	A₁	1105	1105
4	A₁	1026	1026
5	A₁	533	533
6	A₂	238	238
7	E	2537	2537
7	E	2537	2537
8	E	2503	2503
8	E	2502	2502
9	E	1166	1166
9	E	1165	1165
10	E	1142	1142
10	E	1142	1142
11	E	841	841
11	E	841	841
12	E	374	374
12	E	374	374

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.387
P2	0.000	0.000	0.554
H3	0.000	-1.175	-1.667
H4	-1.018	0.588	-1.667
H5	1.018	0.588	-1.667
H6	0.000	1.242	1.209
H7	-1.075	-0.621	1.209
H8	1.075	-0.621	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9405	1.2081	1.2081	1.2081	2.8768	2.8768	2.8768
P2	1.9405		2.5126	2.5126	2.5126	1.4035	1.4035	1.4035
H3	1.2081	2.5126		2.0354	2.0354	3.7561	3.1195	3.1195
H4	1.2081	2.5126	2.0354		2.0354	3.1195	3.1195	3.7561
H5	1.2081	2.5126	2.0354	2.0354		3.1195	3.7561	3.1195
H6	2.8768	1.4035	3.7561	3.1195	3.1195		2.1504	2.1504
H7	2.8768	1.4035	3.1195	3.1195	3.7561	2.1504		2.1504
H8	2.8768	1.4035	3.1195	3.7561	3.1195	2.1504	2.1504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.801	B1	P2	H7	117.801
B1	P2	H8	117.801	P2	B1	H3	103.417
P2	B1	H4	103.417	P2	B1	H5	103.417
H3	B1	H4	114.787	H3	B1	H5	114.787
H4	B1	H5	114.787	H6	P2	H7	100.003
H6	P2	H8	100.003	H7	P2	H8	100.003

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

using model chemistry: QCISD(T)/aug-cc-pCVTZ

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: QCISD(T)/aug-cc-pCVTZ

States and conformations

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