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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	-341.875269
Energy at 298.15K	-341.875619
HF Energy	-341.875269
Nuclear repulsion energy	5.546659

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.342
P2	0.000	0.000	0.089

	H1	P2
H1		1.4311
P2	1.4311

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	-0.032
2	P	0.032

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

using model chemistry: mPW1PW91/6-31G**

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	-341.815580
Energy at 298.15K	-341.815929
Nuclear repulsion energy	5.551002

<r²>	10.671
(<r²>)^1/2	3.267

	H1	P2
H1		1.4300
P2	1.4300

<r²>	10.797
(<r²>)^1/2	3.286

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

State 1 (3Σ-)

State 2 (1Δ)

State 1 (³Σ^-)

State 2 (¹Δ)