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	hartrees
Energy at 0K	-417.841085
Energy at 298.15K	-417.837118
HF Energy	-417.302435
Nuclear repulsion energy	66.449404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2693	2693	101.17
2	A₁	1394	1394	326.42
3	A₁	1279	1279	15.91
4	E	2665	2665	179.23
4	E	2665	2665	179.23
5	E	1243	1243	76.73
5	E	1243	1243	76.73
6	E	958	958	62.88
6	E	958	958	62.88

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.378
O2	0.000	0.000	-1.086
H3	0.000	1.241	1.009
H4	-1.075	-0.620	1.009
H5	1.075	-0.620	1.009

	P1	O2	H3	H4	H5
P1		1.4638	1.3925	1.3925	1.3925
O2	1.4638		2.4355	2.4355	2.4355
H3	1.3925	2.4355		2.1493	2.1493
H4	1.3925	2.4355	2.1493		2.1493
H5	1.3925	2.4355	2.1493	2.1493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.985	O2	P1	H4	116.985
O2	P1	H5	116.985	H3	P1	H4	101.020
H3	P1	H5	101.020	H4	P1	H5	101.020

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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