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	hartrees
Energy at 0K	-148.369958
Energy at 298.15K	-148.372387
HF Energy	-147.911230
Nuclear repulsion energy	59.595938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3595	3440	20.89
2	A	1277	1222	0.01
3	A	997	954	3.34
4	A	824	789	82.71
5	A	513	490	0.04
6	B	3596	3440	76.87
7	B	2232	2135	541.85
8	B	990	947	393.38
9	B	516	494	69.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.233	-0.082
N3	0.000	-1.233	-0.082
H4	0.658	1.700	0.546
H5	-0.658	-1.700	0.546

	C1	N2	N3	H4	H5
C1		1.2368	1.2368	1.9004	1.9004
N2	1.2368		2.4666	1.0228	3.0716
N3	1.2368	2.4666		3.0716	1.0228
H4	1.9004	1.0228	3.0716		3.6465
H5	1.9004	3.0716	1.0228	3.6465

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	114.173		C1	N3	H5	114.173
N2	C1	N3	171.420

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/cc-pVDZ

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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