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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ^-
2	1	yes	C*V	¹Δ

	hartrees
Energy at 0K	-340.873755
Energy at 298.15K	-340.874103
Nuclear repulsion energy	5.343914

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.393
P2	0.000	0.000	0.093

	H1	P2
H1		1.4854
P2	1.4854

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	-0.040
2	P	0.040

All results from a given calculation for PH (phosphorus monohydride)

using model chemistry: LSDA/6-31G

States and conformations

State 1 (³Σ^-)

State 2 (¹Δ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-340.820983
Energy at 298.15K	-340.821332
Nuclear repulsion energy	5.348381

<r²>	0.000
(<r²>)^1/2	0.000

	H1	P2
H1		1.4841
P2	1.4841

<r²>	11.066
(<r²>)^1/2	3.327

All results from a given calculation for PH (phosphorus monohydride)

using model chemistry: LSDA/6-31G

States and conformations

State 1 (3Σ-)

State 2 (1Δ)

State 1 (³Σ^-)

State 2 (¹Δ)