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	hartrees
Energy at 0K	-148.305061
Energy at 298.15K	-148.307935
HF Energy	-147.831864
Nuclear repulsion energy	63.576318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3035	2.61
2	A₁	1606	1504	6.45
3	A₁	1509	1413	8.67
4	A₁	1054	987	4.40
5	A₂	1023	958	0.00
6	B₁	3370	3156	12.57
7	B₁	1171	1096	4.42
8	B₂	1042	976	29.15
9	B₂	838	785	9.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.804
N2	0.000	0.628	-0.537
N3	0.000	-0.628	-0.537
H4	0.931	0.000	1.348
H5	-0.931	0.000	1.348

	C1	N2	N3	H4	H5
C1		1.4810	1.4810	1.0780	1.0780
N2	1.4810		1.2566	2.1941	2.1941
N3	1.4810	1.2566		2.1941	2.1941
H4	1.0780	2.1941	2.1941		1.8616
H5	1.0780	2.1941	2.1941	1.8616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.898	C1	N3	N2	64.898
N2	C1	N3	50.204	N2	C1	H4	117.183
N2	C1	H5	117.183	N3	C1	H4	117.183
N3	C1	H5	117.183	H4	C1	H5	119.407

All results from a given calculation for CH₂N₂ (diazirine)

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

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: MP2/6-31G**

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)