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	hartrees
Energy at 0K	-25.924163
Energy at 298.15K	-25.927126
HF Energy	-25.924163
Nuclear repulsion energy	34.622277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3291	2973	17.28
2	A₁	1954	1765	48.49
3	A₁	1635	1477	1.62
4	A₁	1163	1051	4.51
5	A₂	1087	982	0.00
6	B₁	3407	3078	34.55
7	B₁	1248	1127	6.97
8	B₂	1155	1043	23.41
9	B₂	975	881	32.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.794
N2	0.000	0.601	-0.532
N3	0.000	-0.601	-0.532
H4	0.924	0.000	1.346
H5	-0.924	0.000	1.346

	C1	N2	N3	H4	H5
C1		1.4560	1.4560	1.0765	1.0765
N2	1.4560		1.2020	2.1783	2.1783
N3	1.4560	1.2020		2.1783	2.1783
H4	1.0765	2.1783	2.1783		1.8475
H5	1.0765	2.1783	2.1783	1.8475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.621	C1	N3	N2	65.621
N2	C1	N3	48.759	N2	C1	H4	117.887
N2	C1	H5	117.887	N3	C1	H4	117.887
N3	C1	H5	117.887	H4	C1	H5	118.203

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	C	-0.261
2	N	-0.048
3	N	-0.048
4	H	0.179
5	H	0.179

	x	y	z	Total
	0.000	0.000	1.935	1.935
CHELPG
AIM
ESP

<r²>	25.326
(<r²>)^1/2	5.033

All results from a given calculation for CH2N2 (diazirine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)