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	hartrees
Energy at 0K	-148.382163
Energy at 298.15K	-148.384550
HF Energy	-147.906808
Nuclear repulsion energy	59.658868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3465	20.38
2	A	1269	1200	0.02
3	A	948	896	4.18
4	A	787	744	107.57
5	A	522	494	0.00
6	B	3665	3465	111.01
7	B	2199	2079	654.04
8	B	940	888	486.04
9	B	502	475	71.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.028
N2	0.000	1.230	-0.085
N3	0.000	-1.230	-0.085
H4	0.631	1.751	0.512
H5	-0.631	-1.751	0.512

	C1	N2	N3	H4	H5
C1		1.2356	1.2356	1.9227	1.9227
N2	1.2356		2.4609	1.0125	3.1050
N3	1.2356	2.4609		3.1050	1.0125
H4	1.9227	1.0125	3.1050		3.7219
H5	1.9227	3.1050	1.0125	3.7219

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.231		C1	N3	H5	117.231
N2	C1	N3	169.491

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/6-31+G**

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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