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	hartrees
Energy at 0K	-148.546979
Energy at 298.15K	-148.549852
HF Energy	-147.887547
Nuclear repulsion energy	64.199634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3180	3065
2	A₁	1673	1613
3	A₁	1514	1459
4	A₁	1038	1000
5	A₂	1001	965
6	B₁	3269	3150
7	B₁	1154	1112
8	B₂	1018	981
9	B₂	840	809

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.806
N2	0.000	0.614	-0.537
N3	0.000	-0.614	-0.537
H4	0.931	0.000	1.345
H5	-0.931	0.000	1.345

	C1	N2	N3	H4	H5
C1		1.4764	1.4764	1.0755	1.0755
N2	1.4764		1.2271	2.1875	2.1875
N3	1.4764	1.2271		2.1875	2.1875
H4	1.0755	2.1875	2.1875		1.8611
H5	1.0755	2.1875	2.1875	1.8611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.445	C1	N3	N2	65.445
N2	C1	N3	49.111	N2	C1	H4	117.135
N2	C1	H5	117.135	N3	C1	H4	117.135
N3	C1	H5	117.135	H4	C1	H5	119.809

All results from a given calculation for CH₂N₂ (diazirine)

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

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)