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	hartrees
Energy at 0K	-148.038896
Energy at 298.15K	-148.041231
HF Energy	-148.038896
Nuclear repulsion energy	60.255504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3551	3516	31.74
2	A	1294	1281	0.02
3	A	845	837	16.10
4	A	665	659	95.18
5	A	535	530	1.65
6	B	3548	3514	170.61
7	B	2262	2240	563.18
8	B	853	845	411.61
9	B	538	533	78.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.019
N2	0.000	1.213	-0.079
N3	0.000	-1.213	-0.079
H4	0.607	1.797	0.492
H5	-0.607	-1.797	0.492

	C1	N2	N3	H4	H5
C1		1.2170	1.2170	1.9544	1.9544
N2	1.2170		2.4262	1.0172	3.1229
N3	1.2170	2.4262		3.1229	1.0172
H4	1.9544	1.0172	3.1229		3.7928
H5	1.9544	3.1229	1.0172	3.7928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	121.776		C1	N3	H5	121.776
N2	C1	N3	170.756

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: SVWN/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	6.344	0.000
z	0.000	0.000	2.482

<r²>	38.713
(<r²>)^1/2	6.222