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	hartrees
Energy at 0K	-148.695966
Energy at 298.15K	-148.698221
HF Energy	-148.695966
Nuclear repulsion energy	61.335361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3079	14.54
2	A₁	2270	2153	360.63
3	A₁	1470	1394	30.93
4	A₁	1251	1187	0.56
5	B₁	594	563	1.34
6	B₁	448	425	157.59
7	B₂	3367	3193	1.71
8	B₂	1132	1074	1.20
9	B₂	432	410	0.37

Atom	y (Å)	z (Å)
C1	0.000	-1.137
N2	0.000	0.152
N3	0.000	1.293
H4	0.952	-1.644
H5	-0.952	-1.644

	C1	N2	N3	H4	H5
C1		1.2884	2.4294	1.0787	1.0787
N2	1.2884		1.1410	2.0321	2.0321
N3	2.4294	1.1410		3.0867	3.0867
H4	1.0787	2.0321	3.0867		1.9047
H5	1.0787	2.0321	3.0867	1.9047

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.017
N2	C1	H5	118.017		H4	C1	H5	123.965

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: mPW1PW91/6-31G*

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	-0.397
2	N	0.184
3	N	-0.221
4	H	0.217
5	H	0.217

	x	y	z	Total
	0.000	0.000	-1.732	1.732
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)