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	hartrees
Energy at 0K	-148.038894
Energy at 298.15K	-148.041230
HF Energy	-148.038894
Nuclear repulsion energy	60.256456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3550	3511	31.73
2	A	1294	1280	0.02
3	A	846	836	15.98
4	A	666	658	95.17
5	A	535	529	1.70
6	B	3547	3509	170.43
7	B	2262	2237	563.01
8	B	854	844	411.49
9	B	538	532	77.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.213	-0.079
N3	0.000	-1.213	-0.079
H4	0.607	1.796	0.492
H5	-0.607	-1.796	0.492

	C1	N2	N3	H4	H5
C1		1.2170	1.2170	1.9542	1.9542
N2	1.2170		2.4261	1.0172	3.1226
N3	1.2170	2.4261		3.1226	1.0172
H4	1.9542	1.0172	3.1226		3.7924
H5	1.9542	3.1226	1.0172	3.7924

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	121.751		C1	N3	H5	121.751
N2	C1	N3	170.740

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: LSDA/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	0.120
2	N	-0.247
3	N	-0.247
4	H	0.187
5	H	0.187

	x	y	z	Total
	0.000	0.000	1.966	1.966
CHELPG
AIM
ESP

	x	y	z
x	2.505	0.302	0.000
y	0.302	6.343	0.000
z	0.000	0.000	2.482

<r²>	38.711
(<r²>)^1/2	6.222