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	hartrees
Energy at 0K	-417.673250
Energy at 298.15K	-417.677738
HF Energy	-417.345096
Nuclear repulsion energy	65.449438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2417	2314	93.35
2	A₁	1303	1248	239.80
3	A₁	1183	1133	1.40
4	E	2394	2292	140.88
4	E	2394	2292	140.88
5	E	1154	1105	46.09
5	E	1154	1105	46.08
6	E	882	845	42.28
6	E	882	845	42.28

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.381
O2	0.000	0.000	-1.103
H3	0.000	1.257	1.035
H4	-1.089	-0.628	1.035
H5	1.089	-0.628	1.035

	P1	O2	H3	H4	H5
P1		1.4838	1.4171	1.4171	1.4171
O2	1.4838		2.4803	2.4803	2.4803
H3	1.4171	2.4803		2.1771	2.1771
H4	1.4171	2.4803	2.1771		2.1771
H5	1.4171	2.4803	2.1771	2.1771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.500	O2	P1	H4	117.500
O2	P1	H5	117.500	H3	P1	H4	100.380
H3	P1	H5	100.380	H4	P1	H5	100.380

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

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

States and conformations

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