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	hartrees
Energy at 0K	-148.495720
Energy at 298.15K	-148.498578
HF Energy	-147.885948
Nuclear repulsion energy	63.869421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3152	3057
2	A₁	1644	1595
3	A₁	1492	1447
4	A₁	1023	992
5	A₂	987	958
6	B₁	3271	3172
7	B₁	1135	1100
8	B₂	1002	972
9	B₂	830	805

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.810
N2	0.000	0.617	-0.540
N3	0.000	-0.617	-0.540
H4	0.935	0.000	1.351
H5	-0.935	0.000	1.351

	C1	N2	N3	H4	H5
C1		1.4842	1.4842	1.0797	1.0797
N2	1.4842		1.2340	2.1974	2.1974
N3	1.4842	1.2340		2.1974	2.1974
H4	1.0797	2.1974	2.1974		1.8690
H5	1.0797	2.1974	2.1974	1.8690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.435	C1	N3	N2	65.435
N2	C1	N3	49.130	N2	C1	H4	117.101
N2	C1	H5	117.101	N3	C1	H4	117.101
N3	C1	H5	117.101	H4	C1	H5	119.880

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CCSD(T)/aug-cc-pVTZ

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: CCSD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)