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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	-341.298247
Energy at 298.15K	-341.298596
HF Energy	-341.298247
Nuclear repulsion energy	5.614628

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.325
P2	0.000	0.000	0.088

	H1	P2
H1		1.4137
P2	1.4137

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.047
2	P	-0.047

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

using model chemistry: HF/aug-cc-pVTZ

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	-341.224735
Energy at 298.15K	-341.225084
Nuclear repulsion energy	5.614980

<r²>	10.819
(<r²>)^1/2	3.289

<r²>	11.103
(<r²>)^1/2	3.332

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

State 1 (3Σ-)

State 2 (1Δ)

State 1 (³Σ^-)

State 2 (¹Δ)