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	hartrees
Energy at 0K	-26.173725
Energy at 298.15K	-26.175953
HF Energy	-25.882089
Nuclear repulsion energy	30.846744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3504	9.64
2	A	1182	1142	0.91
3	A	805	778	12.38
4	A	691	668	172.49
5	A	497	481	0.82
6	B	3630	3508	149.24
7	B	2126	2054	474.17
8	B	762	736	756.21
9	B	506	489	98.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.063
N2	0.000	1.263	-0.088
N3	0.000	-1.263	-0.088
H4	0.581	1.930	0.430
H5	-0.581	-1.930	0.430

	C1	N2	N3	H4	H5
C1		1.2720	1.2720	2.0486	2.0486
N2	1.2720		2.5260	1.0253	3.2864
N3	1.2720	2.5260		3.2864	1.0253
H4	2.0486	1.0253	3.2864		4.0307
H5	2.0486	3.2864	1.0253	4.0307

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.839		C1	N3	H5	125.839
N2	C1	N3	166.346

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/CEP-31G

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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