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	hartrees
Energy at 0K	-148.712355
Energy at 298.15K	-148.714490
HF Energy	-148.712355
Nuclear repulsion energy	61.173328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3088	11.84
2	A₁	2150	2117	349.13
3	A₁	1400	1379	30.72
4	A₁	1179	1161	3.20
5	B₁	558	550	8.29
6	B₁	358	352	121.13
7	B₂	3253	3204	1.66
8	B₂	1084	1067	2.11
9	B₂	418	411	0.10

Atom	y (Å)	z (Å)
C1	0.000	-1.142
N2	0.000	0.155
N3	0.000	1.295
H4	0.953	-1.649
H5	-0.953	-1.649

	C1	N2	N3	H4	H5
C1		1.2963	2.4371	1.0802	1.0802
N2	1.2963		1.1409	2.0404	2.0404
N3	2.4371	1.1409		3.0953	3.0953
H4	1.0802	2.0404	3.0953		1.9070
H5	1.0802	2.0404	3.0953	1.9070

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.032
N2	C1	H5	118.032		H4	C1	H5	123.937

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B97D3/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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Number	Element	Mulliken
1	C	-0.542
2	N	0.646
3	N	-0.669
4	H	0.283
5	H	0.283

	x	y	z	Total
	0.000	0.000	-1.674	1.674
CHELPG
AIM
ESP

<r²>	38.172
(<r²>)^1/2	6.178

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)