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	hartrees
Energy at 0K	-26.109247
Energy at 298.15K	-26.111958
HF Energy	-25.781630
Nuclear repulsion energy	32.004683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3068	9.42
2	A₁	1508	1457	0.32
3	A₁	1171	1131	1.48
4	A₁	847	818	12.80
5	A₂	966	934	0.00
6	B₁	3330	3217	27.41
7	B₁	1113	1076	2.17
8	B₂	1041	1005	27.64
9	B₂	650	628	8.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.855
N2	0.000	0.677	-0.566
N3	0.000	-0.677	-0.566
H4	0.954	0.000	1.394
H5	-0.954	0.000	1.394

	C1	N2	N3	H4	H5
C1		1.5740	1.5740	1.0953	1.0953
N2	1.5740		1.3532	2.2821	2.2821
N3	1.5740	1.3532		2.2821	2.2821
H4	1.0953	2.2821	2.2821		1.9074
H5	1.0953	2.2821	2.2821	1.9074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.541	C1	N3	N2	64.541
N2	C1	N3	50.918	N2	C1	H4	116.359
N2	C1	H5	116.359	N3	C1	H4	116.359
N3	C1	H5	116.359	H4	C1	H5	121.089

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/CEP-31G

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 CH2N2 (diazirine)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)