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	hartrees
Energy at 0K	-148.316589
Energy at 298.15K	-148.319466
HF Energy	-147.832231
Nuclear repulsion energy	63.642283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3031	2.58
2	A₁	1611	1505	6.51
3	A₁	1513	1414	8.70
4	A₁	1056	987	4.42
5	A₂	1025	958	0.00
6	B₁	3373	3152	12.42
7	B₁	1173	1096	4.39
8	B₂	1045	976	29.27
9	B₂	839	784	9.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.803
N2	0.000	0.628	-0.537
N3	0.000	-0.628	-0.537
H4	0.930	0.000	1.347
H5	-0.930	0.000	1.347

	C1	N2	N3	H4	H5
C1		1.4794	1.4794	1.0770	1.0770
N2	1.4794		1.2553	2.1920	2.1920
N3	1.4794	1.2553		2.1920	2.1920
H4	1.0770	2.1920	2.1920		1.8595
H5	1.0770	2.1920	2.1920	1.8595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.895	C1	N3	N2	64.895
N2	C1	N3	50.210	N2	C1	H4	117.198
N2	C1	H5	117.198	N3	C1	H4	117.198
N3	C1	H5	117.198	H4	C1	H5	119.370

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)