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	hartrees
Energy at 0K	-148.138619
Energy at 298.15K	-148.140898
HF Energy	-147.810089
Nuclear repulsion energy	59.039099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3475	9.02
2	A	1239	1194	0.08
3	A	876	845	15.92
4	A	768	740	154.72
5	A	492	474	0.86
6	B	3609	3478	106.09
7	B	2184	2104	460.51
8	B	866	835	714.89
9	B	456	439	55.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.051
N2	0.000	1.238	-0.084
N3	0.000	-1.238	-0.084
H4	0.584	1.887	0.435
H5	-0.584	-1.887	0.435

	C1	N2	N3	H4	H5
C1		1.2456	1.2456	2.0124	2.0124
N2	1.2456		2.4764	1.0159	3.2215
N3	1.2456	2.4764		3.2215	1.0159
H4	2.0124	1.0159	3.2215		3.9510
H5	2.0124	3.2215	1.0159	3.9510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.404		C1	N3	H5	125.404
N2	C1	N3	167.520

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/6-31G

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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