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	hartrees
Energy at 0K	-148.526483
Energy at 298.15K	-148.528928
HF Energy	-147.960302
Nuclear repulsion energy	60.163359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3465	24.34
2	A	1279	1222	0.00
3	A	962	919	8.23
4	A	771	737	85.31
5	A	543	519	0.05
6	B	3623	3463	139.29
7	B	2209	2111	726.35
8	B	954	912	457.61
9	B	546	522	78.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.220	-0.080
N3	0.000	-1.220	-0.080
H4	0.632	1.730	0.520
H5	-0.632	-1.730	0.520

	C1	N2	N3	H4	H5
C1		1.2237	1.2237	1.9105	1.9105
N2	1.2237		2.4401	1.0100	3.0766
N3	1.2237	2.4401		3.0766	1.0100
H4	1.9105	1.0100	3.0766		3.6843
H5	1.9105	3.0766	1.0100	3.6843

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.274		C1	N3	H5	117.274
N2	C1	N3	171.191

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD/aug-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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