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	hartrees
Energy at 0K	-148.613781
Energy at 298.15K	-148.616187
HF Energy	-147.960220
Nuclear repulsion energy	60.098591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3616	3616
2	A	1262	1262
3	A	938	938
4	A	747	747
5	A	543	543
6	B	3612	3612
7	B	2198	2198
8	B	928	928
9	B	537	537

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.221	-0.082
N3	0.000	-1.221	-0.082
H4	0.625	1.748	0.510
H5	-0.625	-1.748	0.510

	C1	N2	N3	H4	H5
C1		1.2249	1.2249	1.9196	1.9196
N2	1.2249		2.4413	1.0092	3.0906
N3	1.2249	2.4413		3.0906	1.0092
H4	1.9196	1.0092	3.0906		3.7120
H5	1.9196	3.0906	1.0092	3.7120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.132		C1	N3	H5	118.132
N2	C1	N3	170.432

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)=FULL/daug-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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