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	hartrees
Energy at 0K	-417.359647
Energy at 298.15K	-417.363972
HF Energy	-417.155295
Nuclear repulsion energy	60.943845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2343	2197	107.83
2	A₁	1191	1117	148.49
3	A₁	896	841	15.87
4	E	2322	2178	162.84
4	E	2322	2178	162.84
5	E	1080	1013	49.01
5	E	1080	1013	49.01
6	E	748	702	13.72
6	E	748	702	13.72

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.430
O2	0.000	0.000	-1.208
H3	0.000	1.283	1.073
H4	-1.111	-0.642	1.073
H5	1.111	-0.642	1.073

	P1	O2	H3	H4	H5
P1		1.6373	1.4353	1.4353	1.4353
O2	1.6373		2.6168	2.6168	2.6168
H3	1.4353	2.6168		2.2222	2.2222
H4	1.4353	2.6168	2.2222		2.2222
H5	1.4353	2.6168	2.2222	2.2222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	116.632	O2	P1	H4	116.632
O2	P1	H5	116.632	H3	P1	H4	101.454
H3	P1	H5	101.454	H4	P1	H5	101.454

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

using model chemistry: CISD/6-31G

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/6-31G

States and conformations

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