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	hartrees
Energy at 0K	-417.714956
Energy at 298.15K	-417.719403
HF Energy	-417.337556
Nuclear repulsion energy	64.267610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2469	2469	77.76
2	A₁	1207	1207	171.67
3	A₁	1122	1122	11.27
4	E	2464	2464	77.13
4	E	2464	2464	77.13
5	E	1138	1138	22.18
5	E	1138	1138	22.18
6	E	828	828	22.00
6	E	828	828	22.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.394
O2	0.000	0.000	-1.127
H3	0.000	1.270	1.034
H4	-1.100	-0.635	1.034
H5	1.100	-0.635	1.034

	P1	O2	H3	H4	H5
P1		1.5216	1.4221	1.4221	1.4221
O2	1.5216		2.5066	2.5066	2.5066
H3	1.4221	2.5066		2.2002	2.2002
H4	1.4221	2.5066	2.2002		2.2002
H5	1.4221	2.5066	2.2002	2.2002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.713	O2	P1	H4	116.713
O2	P1	H5	116.713	H3	P1	H4	101.356
H3	P1	H5	101.356	H4	P1	H5	101.356

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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