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	hartrees
Energy at 0K	-148.019446
Energy at 298.15K	-148.021772
HF Energy	-148.019446
Nuclear repulsion energy	60.198892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3520	35.12
2	A	1297	1283	0.13
3	A	834	826	13.94
4	A	668	661	109.37
5	A	533	527	1.80
6	B	3556	3519	165.39
7	B	2278	2254	532.05
8	B	844	835	411.04
9	B	537	531	82.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.019
N2	0.000	1.214	-0.078
N3	0.000	-1.214	-0.078
H4	0.611	1.798	0.490
H5	-0.611	-1.798	0.490

	C1	N2	N3	H4	H5
C1		1.2182	1.2182	1.9565	1.9565
N2	1.2182		2.4285	1.0182	3.1257
N3	1.2182	2.4285		3.1257	1.0182
H4	1.9565	1.0182	3.1257		3.7978
H5	1.9565	3.1257	1.0182	3.7978

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	121.802		C1	N3	H5	121.802
N2	C1	N3	170.840

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: SVWN/6-311G**

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	0.371
2	N	-0.429
3	N	-0.429
4	H	0.244
5	H	0.244

	x	y	z	Total
	0.000	0.000	2.102	2.102
CHELPG
AIM
ESP

	x	y	z
x	2.030	0.326	0.000
y	0.326	6.075	0.000
z	0.000	0.000	2.006

<r²>	38.703
(<r²>)^1/2	6.221