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	hartrees
Energy at 0K	-148.425787
Energy at 298.15K	-148.428202
HF Energy	-147.936584
Nuclear repulsion energy	59.902141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3455	21.65
2	A	1261	1203	0.00
3	A	965	921	3.03
4	A	794	758	92.15
5	A	520	496	0.02
6	B	3622	3456	86.49
7	B	2209	2108	550.69
8	B	957	913	432.55
9	B	521	497	78.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.227	-0.082
N3	0.000	-1.227	-0.082
H4	0.645	1.712	0.531
H5	-0.645	-1.712	0.531

	C1	N2	N3	H4	H5
C1		1.2304	1.2304	1.9017	1.9017
N2	1.2304		2.4534	1.0136	3.0708
N3	1.2304	2.4534		3.0708	1.0136
H4	1.9017	1.0136	3.0708		3.6600
H5	1.9017	3.0708	1.0136	3.6600

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.535		C1	N3	H5	115.535
N2	C1	N3	171.132

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/6-311G**

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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