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	hartrees
Energy at 0K	-148.686502
Energy at 298.15K	-148.688913
HF Energy	-147.969002
Nuclear repulsion energy	60.149777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3624	3624
2	A	1267	1267
3	A	934	934
4	A	744	744
5	A	537	537
6	B	3622	3622
7	B	2202	2202
8	B	929	929
9	B	541	541

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.219	-0.081
N3	0.000	-1.219	-0.081
H4	0.622	1.751	0.508
H5	-0.622	-1.751	0.508

	C1	N2	N3	H4	H5
C1		1.2237	1.2237	1.9207	1.9207
N2	1.2237		2.4390	1.0081	3.0912
N3	1.2237	2.4390		3.0912	1.0081
H4	1.9207	1.0081	3.0912		3.7154
H5	1.9207	3.0912	1.0081	3.7154

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.445		C1	N3	H5	118.445
N2	C1	N3	170.448

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

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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