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	hartrees
Energy at 0K	-417.365383
Energy at 298.15K	-417.369755
HF Energy	-417.155243
Nuclear repulsion energy	61.281690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2321	2205	152.14
2	A₁	1218	1157	181.48
3	A₁	991	942	49.98
4	E	2304	2189	197.90
4	E	2304	2189	197.90
5	E	1074	1021	60.86
5	E	1074	1021	60.86
6	E	783	744	14.37
6	E	783	744	14.37

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.424
O2	0.000	0.000	-1.198
H3	0.000	1.282	1.075
H4	-1.110	-0.641	1.075
H5	1.110	-0.641	1.075

	P1	O2	H3	H4	H5
P1		1.6225	1.4377	1.4377	1.4377
O2	1.6225		2.6099	2.6099	2.6099
H3	1.4377	2.6099		2.2204	2.2204
H4	1.4377	2.6099	2.2204		2.2204
H5	1.4377	2.6099	2.2204	2.2204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.919	O2	P1	H4	116.918
O2	P1	H5	116.918	H3	P1	H4	101.102
H3	P1	H5	101.102	H4	P1	H5	101.102

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

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

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