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	hartrees
Energy at 0K	-148.462406
Energy at 298.15K	-148.464884
HF Energy	-147.961862
Nuclear repulsion energy	60.645112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3725	30.78
2	A	1331	1331	0.01
3	A	972	972	12.01
4	A	782	782	92.56
5	A	567	567	0.04
6	B	3721	3721	186.19
7	B	2274	2274	861.00
8	B	963	963	471.82
9	B	569	569	94.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.007
N2	0.000	1.210	-0.077
N3	0.000	-1.210	-0.077
H4	0.624	1.723	0.518
H5	-0.624	-1.723	0.518

	C1	N2	N3	H4	H5
C1		1.2132	1.2132	1.9023	1.9023
N2	1.2132		2.4206	1.0030	3.0571
N3	1.2132	2.4206		3.0571	1.0030
H4	1.9023	1.0030	3.0571		3.6648
H5	1.9023	3.0571	1.0030	3.6648

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.957		C1	N3	H5	117.957
N2	C1	N3	172.089

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CID/daug-cc-pVTZ

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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