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	hartrees
Energy at 0K	-147.250374
Energy at 298.15K	-147.253169
HF Energy	-146.944730
Nuclear repulsion energy	61.983697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3041	0.04
2	A₁	1582	1474	0.87
3	A₁	1414	1317	14.00
4	A₁	905	843	7.33
5	A₂	994	926	0.00
6	B₁	3399	3167	6.17
7	B₁	1129	1052	2.67
8	B₂	1028	958	63.61
9	B₂	734	684	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.855
N2	0.000	0.630	-0.563
N3	0.000	-0.630	-0.563
H4	0.938	0.000	1.379
H5	-0.938	0.000	1.379

	C1	N2	N3	H4	H5
C1		1.5524	1.5524	1.0743	1.0743
N2	1.5524		1.2610	2.2472	2.2472
N3	1.5524	1.2610		2.2472	2.2472
H4	1.0743	2.2472	2.2472		1.8760
H5	1.0743	2.2472	2.2472	1.8760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	66.038	C1	N3	N2	66.038
N2	C1	N3	47.923	N2	C1	H4	116.452
N2	C1	H5	116.452	N3	C1	H4	116.452
N3	C1	H5	116.452	H4	C1	H5	121.652

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)