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	hartrees
Energy at 0K	-148.342181
Energy at 298.15K	-148.345043
HF Energy	-147.860226
Nuclear repulsion energy	63.677641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3035	2.80
2	A₁	1595	1516	6.83
3	A₁	1503	1428	9.90
4	A₁	1038	987	6.05
5	A₂	1012	962	0.00
6	B₁	3326	3161	10.86
7	B₁	1167	1109	3.83
8	B₂	1012	962	36.70
9	B₂	826	785	14.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.800
N2	0.000	0.620	-0.536
N3	0.000	-0.620	-0.536
H4	0.931	0.000	1.352
H5	-0.931	0.000	1.352

	C1	N2	N3	H4	H5
C1		1.4722	1.4722	1.0825	1.0825
N2	1.4722		1.2399	2.1942	2.1942
N3	1.4722	1.2399		2.1942	2.1942
H4	1.0825	2.1942	2.1942		1.8619
H5	1.0825	2.1942	2.1942	1.8619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.096	C1	N3	N2	65.096
N2	C1	N3	49.808	N2	C1	H4	117.574
N2	C1	H5	117.574	N3	C1	H4	117.574
N3	C1	H5	117.574	H4	C1	H5	118.625

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)