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	hartrees
Energy at 0K	-413.140311
Energy at 298.15K	-413.144523
HF Energy	-413.140311
Nuclear repulsion energy	62.587567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2620	2311	114.67
2	A₁	1344	1185	137.87
3	A₁	1014	894	6.76
4	E	2565	2262	124.95
4	E	2565	2262	124.94
5	E	1247	1100	33.33
5	E	1247	1100	33.34
6	E	675	595	17.08
6	E	675	595	17.08

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.403
O2	0.000	0.000	-1.172
H3	0.000	1.245	1.108
H4	-1.078	-0.622	1.108
H5	1.078	-0.622	1.108

	P1	O2	H3	H4	H5
P1		1.5752	1.4304	1.4304	1.4304
O2	1.5752		2.5976	2.5976	2.5976
H3	1.4304	2.5976		2.1558	2.1558
H4	1.4304	2.5976	2.1558		2.1558
H5	1.4304	2.5976	2.1558	2.1558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	H3	119.523	O2	P1	H4	119.523
O2	P1	H5	119.523	H3	P1	H4	97.803
H3	P1	H5	97.803	H4	P1	H5	97.803

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

using model chemistry: PBE1PBE/STO-3G

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: PBE1PBE/STO-3G

States and conformations

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