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	hartrees
Energy at 0K	-417.674114
Energy at 298.15K	-417.678584
HF Energy	-417.321080
Nuclear repulsion energy	64.688217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2484	2484	77.80
2	A₁	1272	1272	198.98
3	A₁	1157	1157	1.18
4	E	2465	2465	132.76
4	E	2465	2465	132.76
5	E	1153	1153	40.98
5	E	1153	1153	40.98
6	E	852	852	34.67
6	E	852	852	34.67

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.387
O2	0.000	0.000	-1.119
H3	0.000	1.258	1.049
H4	-1.090	-0.629	1.049
H5	1.090	-0.629	1.049

	P1	O2	H3	H4	H5
P1		1.5067	1.4218	1.4218	1.4218
O2	1.5067		2.5073	2.5073	2.5073
H3	1.4218	2.5073		2.1794	2.1794
H4	1.4218	2.5073	2.1794		2.1794
H5	1.4218	2.5073	2.1794	2.1794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.750	O2	P1	H4	117.750
O2	P1	H5	117.750	H3	P1	H4	100.068
H3	P1	H5	100.068	H4	P1	H5	100.068

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

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

States and conformations

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