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	hartrees
Energy at 0K	-417.674080
Energy at 298.15K	-417.678534
HF Energy	-417.320345
Nuclear repulsion energy	64.394660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2441	2326
2	A₁	1255	1196
3	A₁	1131	1078
4	E	2419	2306
4	E	2419	2305
5	E	1140	1086
5	E	1139	1086
6	E	836	797
6	E	836	797

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.389
O2	0.000	0.000	-1.125
H3	0.000	1.261	1.057
H4	-1.092	-0.631	1.057
H5	1.092	-0.631	1.057

	P1	O2	H3	H4	H5
P1		1.5140	1.4271	1.4271	1.4271
O2	1.5140		2.5201	2.5201	2.5201
H3	1.4271	2.5201		2.1845	2.1845
H4	1.4271	2.5201	2.1845		2.1845
H5	1.4271	2.5201	2.1845	2.1845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.901	O2	P1	H4	117.901
O2	P1	H5	117.901	H3	P1	H4	99.877
H3	P1	H5	99.877	H4	P1	H5	99.877

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

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

States and conformations

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