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	hartrees
Energy at 0K	-148.056474
Energy at 298.15K	-148.059209
HF Energy	-147.700111
Nuclear repulsion energy	61.301620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3070	0.00
2	A₁	1553	1475	0.22
3	A₁	1212	1152	5.20
4	A₁	851	808	8.36
5	A₂	988	939	0.00
6	B₁	3373	3205	9.02
7	B₁	1139	1083	2.57
8	B₂	1054	1002	38.39
9	B₂	660	627	4.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.844
N2	0.000	0.654	-0.559
N3	0.000	-0.654	-0.559
H4	0.940	0.000	1.377
H5	-0.940	0.000	1.377

	C1	N2	N3	H4	H5
C1		1.5478	1.5478	1.0803	1.0803
N2	1.5478		1.3074	2.2486	2.2486
N3	1.5478	1.3074		2.2486	2.2486
H4	1.0803	2.2486	2.2486		1.8801
H5	1.0803	2.2486	2.2486	1.8801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.018	C1	N3	N2	65.018
N2	C1	N3	49.964	N2	C1	H4	116.529
N2	C1	H5	116.529	N3	C1	H4	116.529
N3	C1	H5	116.529	H4	C1	H5	120.957

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)