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	hartrees
Energy at 0K	-417.839140
Energy at 298.15K	-417.843617
HF Energy	-417.398173
Nuclear repulsion energy	65.765618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2454	2454
2	A₁	1286	1286
3	A₁	1169	1169
4	E	2437	2437
4	E	2437	2437
5	E	1147	1147
5	E	1146	1146
6	E	857	857
6	E	857	857

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.380
O2	0.000	0.000	-1.097
H3	0.000	1.253	1.024
H4	-1.085	-0.627	1.024
H5	1.085	-0.627	1.024

	P1	O2	H3	H4	H5
P1		1.4776	1.4087	1.4087	1.4087
O2	1.4776		2.4635	2.4635	2.4635
H3	1.4087	2.4635		2.1707	2.1707
H4	1.4087	2.4635	2.1707		2.1707
H5	1.4087	2.4635	2.1707	2.1707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.173	O2	P1	H4	117.173
O2	P1	H5	117.173	H3	P1	H4	100.787
H3	P1	H5	100.787	H4	P1	H5	100.787

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

using model chemistry: QCISD(T)/cc-pV(T+d)Z

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-pV(T+d)Z

States and conformations

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