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	hartrees
Energy at 0K	-417.717817
Energy at 298.15K	-417.722290
HF Energy	-417.360121
Nuclear repulsion energy	65.135445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2487	2374	83.21
2	A₁	1267	1209	241.41
3	A₁	1172	1119	1.65
4	E	2467	2354	118.31
4	E	2467	2354	118.31
5	E	1174	1121	40.33
5	E	1174	1121	40.33
6	E	845	806	35.69
6	E	845	806	35.69

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.386
O2	0.000	0.000	-1.111
H3	0.000	1.256	1.031
H4	-1.088	-0.628	1.031
H5	1.088	-0.628	1.031

	P1	O2	H3	H4	H5
P1		1.4970	1.4114	1.4114	1.4114
O2	1.4970		2.4824	2.4824	2.4824
H3	1.4114	2.4824		2.1751	2.1751
H4	1.4114	2.4824	2.1751		2.1751
H5	1.4114	2.4824	2.1751	2.1751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.163	O2	P1	H4	117.163
O2	P1	H5	117.163	H3	P1	H4	100.800
H3	P1	H5	100.800	H4	P1	H5	100.800

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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