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	hartrees
Energy at 0K	-417.829590
Energy at 298.15K	-417.834059
HF Energy	-417.388028
Nuclear repulsion energy	65.423742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2446	2320
2	A₁	1271	1206
3	A₁	1160	1100
4	E	2431	2306
4	E	2430	2306
5	E	1141	1083
5	E	1141	1082
6	E	849	806
6	E	849	805

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.104
H3	0.000	1.257	1.028
H4	-1.088	-0.628	1.028
H5	1.088	-0.628	1.028

	P1	O2	H3	H4	H5
P1		1.4870	1.4125	1.4125	1.4125
O2	1.4870		2.4748	2.4748	2.4748
H3	1.4125	2.4748		2.1766	2.1766
H4	1.4125	2.4748	2.1766		2.1766
H5	1.4125	2.4748	2.1766	2.1766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.172	O2	P1	H4	117.172
O2	P1	H5	117.172	H3	P1	H4	100.789
H3	P1	H5	100.789	H4	P1	H5	100.789

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

using model chemistry: QCISD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

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