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	hartrees
Energy at 0K	-417.695158
Energy at 298.15K	-417.699604
HF Energy	-417.337144
Nuclear repulsion energy	64.103618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2491	2414	85.75
2	A₁	1209	1172	170.45
3	A₁	1122	1088	11.33
4	E	2488	2411	77.92
4	E	2488	2411	77.92
5	E	1143	1108	22.50
5	E	1143	1108	22.50
6	E	824	799	19.05
6	E	824	799	19.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.396
O2	0.000	0.000	-1.132
H3	0.000	1.268	1.036
H4	-1.098	-0.634	1.036
H5	1.098	-0.634	1.036

	P1	O2	H3	H4	H5
P1		1.5282	1.4200	1.4200	1.4200
O2	1.5282		2.5114	2.5114	2.5114
H3	1.4200	2.5114		2.1958	2.1958
H4	1.4200	2.5114	2.1958		2.1958
H5	1.4200	2.5114	2.1958	2.1958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.776	O2	P1	H4	116.776
O2	P1	H5	116.776	H3	P1	H4	101.277
H3	P1	H5	101.277	H4	P1	H5	101.277

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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