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	hartrees
Energy at 0K	-148.382348
Energy at 298.15K	-148.384699
HF Energy	-147.906472
Nuclear repulsion energy	59.624384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3684	3460	27.73
2	A	1265	1188	0.01
3	A	889	835	7.12
4	A	733	688	115.66
5	A	525	493	0.29
6	B	3685	3460	167.18
7	B	2222	2087	610.11
8	B	877	824	507.34
9	B	519	487	90.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.036
N2	0.000	1.230	-0.086
N3	0.000	-1.230	-0.086
H4	0.615	1.782	0.496
H5	-0.615	-1.782	0.496

	C1	N2	N3	H4	H5
C1		1.2356	1.2356	1.9405	1.9405
N2	1.2356		2.4591	1.0114	3.1285
N3	1.2356	2.4591		3.1285	1.0114
H4	1.9405	1.0114	3.1285		3.7706
H5	1.9405	3.1285	1.0114	3.7706

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.108		C1	N3	H5	119.108
N2	C1	N3	168.610

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=FULL/6-31+G**

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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