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	hartrees
Energy at 0K	-412.440331
Energy at 298.15K	-412.444544
HF Energy	-412.352250
Nuclear repulsion energy	62.897611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2698	2398	141.01
2	A₁	1394	1239	212.14
3	A₁	955	849	43.99
4	E	2694	2395	114.79
4	E	2694	2395	114.79
5	E	1320	1174	53.96
5	E	1320	1174	53.96
6	E	671	597	20.72
6	E	671	597	20.72

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.403
O2	0.000	0.000	-1.168
H3	0.000	1.233	1.101
H4	-1.068	-0.617	1.101
H5	1.068	-0.617	1.101

	P1	O2	H3	H4	H5
P1		1.5704	1.4173	1.4173	1.4173
O2	1.5704		2.5823	2.5823	2.5823
H3	1.4173	2.5823		2.1363	2.1363
H4	1.4173	2.5823	2.1363		2.1363
H5	1.4173	2.5823	2.1363	2.1363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	119.517	O2	P1	H4	119.517
O2	P1	H5	119.517	H3	P1	H4	97.810
H3	P1	H5	97.810	H4	P1	H5	97.810

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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