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	hartrees
Energy at 0K	-148.735945
Energy at 298.15K	-148.738218
HF Energy	-148.735945
Nuclear repulsion energy	61.758212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3081	16.01
2	A₁	2238	2145	466.32
3	A₁	1442	1382	37.74
4	A₁	1230	1179	4.08
5	B₁	596	571	5.43
6	B₁	446	427	130.89
7	B₂	3339	3200	2.99
8	B₂	1115	1068	2.31
9	B₂	439	421	0.23

Atom	y (Å)	z (Å)
C1	0.000	-1.140
N2	0.000	0.137
N3	0.000	1.312
H4	0.922	-1.653
H5	-0.922	-1.653

	C1	N2	N3	H4	H5
C1		1.2770	2.4516	1.0549	1.0549
N2	1.2770		1.1746	2.0135	2.0135
N3	2.4516	1.1746		3.1047	3.1047
H4	1.0549	2.0135	3.1047		1.8434
H5	1.0549	2.0135	3.1047	1.8434

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	119.105
N2	C1	H5	119.105		H4	C1	H5	121.790

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/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	-0.867
2	N	0.536
3	N	-0.563
4	H	0.447
5	H	0.447

	x	y	z	Total
	0.000	0.000	-1.593	1.593
CHELPG
AIM
ESP

<r²>	37.639
(<r²>)^1/2	6.135

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)