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	hartrees
Energy at 0K	-148.330997
Energy at 298.15K	-148.333902
HF Energy	-147.839808
Nuclear repulsion energy	64.166148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3025	4.14
2	A₁	1801	1678	21.27
3	A₁	1563	1456	1.41
4	A₁	1090	1016	3.28
5	A₂	1026	956	0.00
6	B₁	3366	3135	12.55
7	B₁	1177	1097	4.61
8	B₂	1076	1003	27.81
9	B₂	882	822	17.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.798
N2	0.000	0.614	-0.536
N3	0.000	-0.614	-0.536
H4	0.924	0.000	1.355
H5	-0.924	0.000	1.355

	C1	N2	N3	H4	H5
C1		1.4686	1.4686	1.0782	1.0782
N2	1.4686		1.2277	2.1918	2.1918
N3	1.4686	1.2277		2.1918	2.1918
H4	1.0782	2.1918	2.1918		1.8470
H5	1.0782	2.1918	2.1918	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.293	C1	N3	N2	65.293
N2	C1	N3	49.414	N2	C1	H4	117.957
N2	C1	H5	117.957	N3	C1	H4	117.957
N3	C1	H5	117.957	H4	C1	H5	117.866

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)