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	hartrees
Energy at 0K	-148.325495
Energy at 298.15K	-148.328362
HF Energy	-147.835256
Nuclear repulsion energy	63.571780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3046	2.24
2	A₁	1601	1504	5.90
3	A₁	1509	1417	9.32
4	A₁	1041	978	5.74
5	A₂	1018	956	0.00
6	B₁	3374	3169	8.62
7	B₁	1168	1097	3.85
8	B₂	1041	977	32.64
9	B₂	820	770	11.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.806
N2	0.000	0.628	-0.538
N3	0.000	-0.628	-0.538
H4	0.931	0.000	1.346
H5	-0.931	0.000	1.346

	C1	N2	N3	H4	H5
C1		1.4827	1.4827	1.0769	1.0769
N2	1.4827		1.2553	2.1932	2.1932
N3	1.4827	1.2553		2.1932	2.1932
H4	1.0769	2.1932	2.1932		1.8629
H5	1.0769	2.1932	2.1932	1.8629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.957	C1	N3	N2	64.957
N2	C1	N3	50.087	N2	C1	H4	117.045
N2	C1	H5	117.045	N3	C1	H4	117.045
N3	C1	H5	117.045	H4	C1	H5	119.752

All results from a given calculation for CH₂N₂ (diazirine)

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

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/6-31+G**

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)