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	hartrees
Energy at 0K	-148.414017
Energy at 298.15K	-148.416382
HF Energy	-147.906024
Nuclear repulsion energy	59.508479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3642	3642
2	A	1248	1248
3	A	937	937
4	A	769	769
5	A	513	513
6	B	3642	3642
7	B	2180	2180
8	B	929	929
9	B	500	500

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.033
N2	0.000	1.233	-0.087
N3	0.000	-1.233	-0.087
H4	0.629	1.759	0.509
H5	-0.629	-1.759	0.509

	C1	N2	N3	H4	H5
C1		1.2391	1.2391	1.9281	1.9281
N2	1.2391		2.4666	1.0135	3.1155
N3	1.2391	2.4666		3.1155	1.0135
H4	1.9281	1.0135	3.1155		3.7370
H5	1.9281	3.1155	1.0135	3.7370

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.381		C1	N3	H5	117.381
N2	C1	N3	168.920

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)=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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