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	hartrees
Energy at 0K	-148.544253
Energy at 298.15K	-148.546653
HF Energy	-147.956028
Nuclear repulsion energy	59.917974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3608	3561
2	A	1252	1236
3	A	937	924
4	A	747	737
5	A	529	522
6	B	3608	3560
7	B	2184	2155
8	B	929	917
9	B	532	525

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
N2	0.000	1.224	-0.083
N3	0.000	-1.224	-0.083
H4	0.629	1.749	0.513
H5	-0.629	-1.749	0.513

	C1	N2	N3	H4	H5
C1		1.2288	1.2288	1.9222	1.9222
N2	1.2288		2.4487	1.0126	3.0966
N3	1.2288	2.4487		3.0966	1.0126
H4	1.9222	1.0126	3.0966		3.7165
H5	1.9222	3.0966	1.0126	3.7165

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.774		C1	N3	H5	117.774
N2	C1	N3	170.286

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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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