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	hartrees
Energy at 0K	-369.345662
Energy at 298.15K	-369.352126
HF Energy	-368.905723
Nuclear repulsion energy	59.381878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2495	2495
2	A₁	2464	2464
3	A₁	1107	1107
4	A₁	1020	1020
5	A₁	544	544
6	A₂	233	233
7	E	2545	2545
7	E	2545	2545
8	E	2505	2505
8	E	2505	2505
9	E	1170	1170
9	E	1170	1170
10	E	1141	1141
10	E	1141	1141
11	E	835	835
11	E	835	835
12	E	363	363
12	E	363	363

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
P2	0.000	0.000	0.551
H3	0.000	-1.170	-1.660
H4	-1.013	0.585	-1.660
H5	1.013	0.585	-1.660
H6	0.000	1.240	1.206
H7	-1.073	-0.620	1.206
H8	1.073	-0.620	1.206

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9317	1.2029	1.2029	1.2029	2.8687	2.8687	2.8687
P2	1.9317		2.5016	2.5016	2.5016	1.4021	1.4021	1.4021
H3	1.2029	2.5016		2.0265	2.0265	3.7447	3.1100	3.1100
H4	1.2029	2.5016	2.0265		2.0265	3.1100	3.1100	3.7447
H5	1.2029	2.5016	2.0265	2.0265		3.1100	3.7447	3.1100
H6	2.8687	1.4021	3.7447	3.1100	3.1100		2.1469	2.1469
H7	2.8687	1.4021	3.1100	3.1100	3.7447	2.1469		2.1469
H8	2.8687	1.4021	3.1100	3.7447	3.1100	2.1469	2.1469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.868	B1	P2	H7	117.868
B1	P2	H8	117.868	P2	B1	H3	103.431
P2	B1	H4	103.431	P2	B1	H5	103.431
H3	B1	H4	114.776	H3	B1	H5	114.776
H4	B1	H5	114.776	H6	P2	H7	99.919
H6	P2	H8	99.919	H7	P2	H8	99.919

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

using model chemistry: QCISD(T)=FULL/daug-cc-pVTZ

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)=FULL/daug-cc-pVTZ

States and conformations

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