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	hartrees
Energy at 0K	-417.784866
Energy at 298.15K	-417.789379
HF Energy	-417.399308
Nuclear repulsion energy	66.363830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2540	2540	62.63
2	A₁	1336	1336	201.84
3	A₁	1218	1218	3.97
4	E	2521	2521	94.47
4	E	2521	2521	94.47
5	E	1188	1188	33.98
5	E	1188	1188	33.98
6	E	895	895	35.55
6	E	895	895	35.55

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.377
O2	0.000	0.000	-1.086
H3	0.000	1.248	1.010
H4	-1.081	-0.624	1.010
H5	1.081	-0.624	1.010

	P1	O2	H3	H4	H5
P1		1.4630	1.3993	1.3993	1.3993
O2	1.4630		2.4395	2.4395	2.4395
H3	1.3993	2.4395		2.1614	2.1614
H4	1.3993	2.4395	2.1614		2.1614
H5	1.3993	2.4395	2.1614	2.1614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.905	O2	P1	H4	116.905
O2	P1	H5	116.905	H3	P1	H4	101.119
H3	P1	H5	101.119	H4	P1	H5	101.119

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

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

States and conformations

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