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	hartrees
Energy at 0K	-147.290002
Energy at 298.15K	-147.292632
HF Energy	-146.928645
Nuclear repulsion energy	60.042487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3069	0.12
2	A₁	1543	1463	0.19
3	A₁	1012	959	0.01
4	A₁	744	706	9.56
5	A₂	974	923	0.00
6	B₁	3381	3205	5.76
7	B₁	1099	1042	1.88
8	B₂	1013	960	39.01
9	B₂	610	578	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
N2	0.000	0.674	-0.567
N3	0.000	-0.674	-0.567
H4	0.943	0.000	1.383
H5	-0.943	0.000	1.383

	C1	N2	N3	H4	H5
C1		1.5815	1.5815	1.0766	1.0766
N2	1.5815		1.3486	2.2690	2.2690
N3	1.5815	1.3486		2.2690	2.2690
H4	1.0766	2.2690	2.2690		1.8853
H5	1.0766	2.2690	2.2690	1.8853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.762	C1	N3	N2	64.762
N2	C1	N3	50.475	N2	C1	H4	115.914
N2	C1	H5	115.914	N3	C1	H4	115.914
N3	C1	H5	115.914	H4	C1	H5	122.220

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)