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	hartrees
Energy at 0K	-148.438812
Energy at 298.15K	-148.441210
HF Energy	-147.922503
Nuclear repulsion energy	59.212733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3560	3453
2	A	1225	1188
3	A	964	936
4	A	757	735
5	A	515	500
6	B	3560	3454
7	B	2137	2073
8	B	958	930
9	B	519	504

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
N2	0.000	1.240	-0.086
N3	0.000	-1.240	-0.086
H4	0.641	1.748	0.526
H5	-0.641	-1.748	0.526

	C1	N2	N3	H4	H5
C1		1.2454	1.2454	1.9274	1.9274
N2	1.2454		2.4806	1.0214	3.1166
N3	1.2454	2.4806		3.1166	1.0214
H4	1.9274	1.0214	3.1166		3.7228
H5	1.9274	3.1166	1.0214	3.7228

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.135		C1	N3	H5	116.135
N2	C1	N3	169.638

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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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