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	hartrees
Energy at 0K	-148.072631
Energy at 298.15K	-148.075328
HF Energy	-147.719518
Nuclear repulsion energy	60.304279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3064	3.90
2	A₁	1511	1459	0.51
3	A₁	1158	1118	2.55
4	A₁	825	796	13.60
5	A₂	960	926	0.00
6	B₁	3332	3216	13.86
7	B₁	1117	1078	1.82
8	B₂	1036	1000	30.28
9	B₂	644	622	8.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
N2	0.000	0.669	-0.565
N3	0.000	-0.669	-0.565
H4	0.949	0.000	1.390
H5	-0.949	0.000	1.390

	C1	N2	N3	H4	H5
C1		1.5708	1.5708	1.0884	1.0884
N2	1.5708		1.3383	2.2736	2.2736
N3	1.5708	1.3383		2.2736	2.2736
H4	1.0884	2.2736	2.2736		1.8970
H5	1.0884	2.2736	2.2736	1.8970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.786	C1	N3	N2	64.786
N2	C1	N3	50.428	N2	C1	H4	116.346
N2	C1	H5	116.346	N3	C1	H4	116.346
N3	C1	H5	116.346	H4	C1	H5	121.250

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)