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	hartrees
Energy at 0K	-417.823929
Energy at 298.15K	-417.828418
HF Energy	-417.398647
Nuclear repulsion energy	65.960955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2477	2365	66.33
2	A₁	1300	1241	174.50
3	A₁	1184	1131	2.58
4	E	2459	2348	94.28
4	E	2459	2348	94.28
5	E	1159	1106	31.11
5	E	1159	1106	31.11
6	E	869	830	29.99
6	E	869	830	29.99

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.379
O2	0.000	0.000	-1.093
H3	0.000	1.252	1.019
H4	-1.085	-0.626	1.019
H5	1.085	-0.626	1.019

	P1	O2	H3	H4	H5
P1		1.4726	1.4062	1.4062	1.4062
O2	1.4726		2.4554	2.4554	2.4554
H3	1.4062	2.4554		2.1691	2.1691
H4	1.4062	2.4554	2.1691		2.1691
H5	1.4062	2.4554	2.1691	2.1691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	117.049	O2	P1	H4	117.049
O2	P1	H5	117.049	H3	P1	H4	100.941
H3	P1	H5	100.941	H4	P1	H5	100.941

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

using model chemistry: QCISD/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

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