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	hartrees
Energy at 0K	-417.797813
Energy at 298.15K	-417.802316
HF Energy	-417.345196
Nuclear repulsion energy	65.462873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2476	2345	102.09
2	A₁	1331	1260	253.20
3	A₁	1198	1135	1.73
4	E	2453	2323	151.85
4	E	2453	2323	151.85
5	E	1177	1115	49.93
5	E	1177	1115	49.93
6	E	894	846	42.15
6	E	894	846	42.15

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.382
O2	0.000	0.000	-1.104
H3	0.000	1.250	1.037
H4	-1.082	-0.625	1.037
H5	1.082	-0.625	1.037

	P1	O2	H3	H4	H5
P1		1.4861	1.4110	1.4110	1.4110
O2	1.4861		2.4791	2.4791	2.4791
H3	1.4110	2.4791		2.1648	2.1648
H4	1.4110	2.4791	2.1648		2.1648
H5	1.4110	2.4791	2.1648	2.1648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.655	O2	P1	H4	117.655
O2	P1	H5	117.655	H3	P1	H4	100.187
H3	P1	H5	100.187	H4	P1	H5	100.187

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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