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	hartrees
Energy at 0K	-417.705879
Energy at 298.15K	-417.710390
HF Energy	-417.355848
Nuclear repulsion energy	65.810768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2519	2406	92.09
2	A₁	1328	1268	263.32
3	A₁	1218	1163	1.47
4	E	2493	2381	139.45
4	E	2493	2381	139.45
5	E	1184	1131	53.22
5	E	1184	1131	53.22
6	E	896	856	49.92
6	E	896	856	49.92

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.380
O2	0.000	0.000	-1.097
H3	0.000	1.248	1.029
H4	-1.081	-0.624	1.029
H5	1.081	-0.624	1.029

	P1	O2	H3	H4	H5
P1		1.4770	1.4065	1.4065	1.4065
O2	1.4770		2.4652	2.4652	2.4652
H3	1.4065	2.4652		2.1612	2.1612
H4	1.4065	2.4652	2.1612		2.1612
H5	1.4065	2.4652	2.1612	2.1612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.484	O2	P1	H4	117.484
O2	P1	H5	117.484	H3	P1	H4	100.401
H3	P1	H5	100.401	H4	P1	H5	100.401

All results from a given calculation for H₃PO (Phosphine oxide)

using model chemistry: CCD/6-311G**

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 H3PO (Phosphine oxide)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for H₃PO (Phosphine oxide)