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	hartrees
Energy at 0K
Energy at 298.15K	0.153189
Nuclear repulsion energy	46.166706

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.823
N2	0.000	0.623	-0.556
N3	0.000	-0.623	-0.556
H4	0.914	0.000	1.421
H5	-0.914	0.000	1.421

	C1	N2	N3	H4	H5
C1		1.5126	1.5126	1.0925	1.0925
N2	1.5126		1.2459	2.2648	2.2648
N3	1.5126	1.2459		2.2648	2.2648
H4	1.0925	2.2648	2.2648		1.8289
H5	1.0925	2.2648	2.2648	1.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.680	C1	N3	N2	65.680
N2	C1	N3	48.640	N2	C1	H4	119.908
N2	C1	H5	119.908	N3	C1	H4	119.908
N3	C1	H5	119.908	H4	C1	H5	113.654

Number	Element	Mulliken
1	C	-0.324
2	N	-0.035
3	N	-0.035
4	H	0.197
5	H	0.197

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: PM6

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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2N2 (diazirine)

using model chemistry: PM6

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)