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	hartrees
Energy at 0K	-417.715477
Energy at 298.15K	-417.719902
HF Energy	-417.336634
Nuclear repulsion energy	63.919914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2427	2373
2	A₁	1183	1157
3	A₁	1092	1068
4	E	2422	2368
4	E	2421	2368
5	E	1117	1092
5	E	1117	1092
6	E	811	793
6	E	810	792

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.397
O2	0.000	0.000	-1.134
H3	0.000	1.274	1.040
H4	-1.104	-0.637	1.040
H5	1.104	-0.637	1.040

	P1	O2	H3	H4	H5
P1		1.5310	1.4273	1.4273	1.4273
O2	1.5310		2.5198	2.5198	2.5198
H3	1.4273	2.5198		2.2072	2.2072
H4	1.4273	2.5198	2.2072		2.2072
H5	1.4273	2.5198	2.2072	2.2072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.766	O2	P1	H4	116.766
O2	P1	H5	116.766	H3	P1	H4	101.290
H3	P1	H5	101.290	H4	P1	H5	101.290

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

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

States and conformations

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