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	hartrees
Energy at 0K	-148.417244
Energy at 298.15K	-148.419675
HF Energy	-147.937222
Nuclear repulsion energy	60.065438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3633	3469	22.23
2	A	1283	1225	0.01
3	A	969	926	2.75
4	A	815	778	92.45
5	A	524	500	0.04
6	B	3632	3469	94.67
7	B	2240	2139	607.50
8	B	962	919	429.95
9	B	525	501	83.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.223	-0.081
N3	0.000	-1.223	-0.081
H4	0.647	1.702	0.535
H5	-0.647	-1.702	0.535

	C1	N2	N3	H4	H5
C1		1.2266	1.2266	1.8954	1.8954
N2	1.2266		2.4466	1.0133	3.0589
N3	1.2266	2.4466		3.0589	1.0133
H4	1.8954	1.0133	3.0589		3.6422
H5	1.8954	3.0589	1.0133	3.6422

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.274		C1	N3	H5	115.274
N2	C1	N3	171.580

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/6-311G**

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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