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	hartrees
Energy at 0K	-415.508289
Energy at 298.15K	-415.512796
HF Energy	-415.264767
Nuclear repulsion energy	65.233497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2514	2405	85.19
2	A₁	1360	1301	205.70
3	A₁	1213	1160	0.64
4	E	2481	2373	139.90
4	E	2481	2373	139.90
5	E	1141	1091	57.17
5	E	1141	1091	57.17
6	E	915	875	41.82
6	E	915	875	41.82

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.383
O2	0.000	0.000	-1.110
H3	0.000	1.246	1.047
H4	-1.079	-0.623	1.047
H5	1.079	-0.623	1.047

	P1	O2	H3	H4	H5
P1		1.4928	1.4124	1.4124	1.4124
O2	1.4928		2.4911	2.4911	2.4911
H3	1.4124	2.4911		2.1590	2.1590
H4	1.4124	2.4911	2.1590		2.1590
H5	1.4124	2.4911	2.1590	2.1590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	118.047	O2	P1	H4	118.047
O2	P1	H5	118.047	H3	P1	H4	99.694
H3	P1	H5	99.694	H4	P1	H5	99.694

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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