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	hartrees
Energy at 0K	-148.615701
Energy at 298.15K	-148.618104
HF Energy	-147.956437
Nuclear repulsion energy	60.012425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3623	3623
2	A	1256	1256
3	A	929	929
4	A	743	743
5	A	535	535
6	B	3623	3623
7	B	2199	2199
8	B	923	923
9	B	538	538

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.222	-0.082
N3	0.000	-1.222	-0.082
H4	0.625	1.753	0.510
H5	-0.625	-1.753	0.510

	C1	N2	N3	H4	H5
C1		1.2265	1.2265	1.9242	1.9242
N2	1.2265		2.4445	1.0109	3.0970
N3	1.2265	2.4445		3.0970	1.0109
H4	1.9242	1.0109	3.0970		3.7219
H5	1.9242	3.0970	1.0109	3.7219

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.315		C1	N3	H5	118.315
N2	C1	N3	170.460

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)=FULL/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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