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	hartrees
Energy at 0K	-146.168076
Energy at 298.15K	-146.170852
HF Energy	-145.918304
Nuclear repulsion energy	59.899394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3418	3039	8.51
2	A₁	1626	1445	0.04
3	A₁	1275	1133	0.83
4	A₁	960	853	2.33
5	A₂	1060	942	0.00
6	B₁	3595	3195	0.39
7	B₁	1144	1017	7.10
8	B₂	1176	1045	0.07
9	B₂	905	804	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.821
N2	0.000	0.701	-0.551
N3	0.000	-0.701	-0.551
H4	0.944	0.000	1.391
H5	-0.944	0.000	1.391

	C1	N2	N3	H4	H5
C1		1.5409	1.5409	1.1025	1.1025
N2	1.5409		1.4028	2.2699	2.2699
N3	1.5409	1.4028		2.2699	2.2699
H4	1.1025	2.2699	2.2699		1.8881
H5	1.1025	2.2699	2.2699	1.8881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	62.924	C1	N3	N2	62.924
N2	C1	N3	54.153	N2	C1	H4	117.380
N2	C1	H5	117.380	N3	C1	H4	117.380
N3	C1	H5	117.380	H4	C1	H5	117.805

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)