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	hartrees
Energy at 0K	-186.503437
Energy at 298.15K
HF Energy	-185.744615
Nuclear repulsion energy	89.587818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3444	3270	0.00	606.16	0.29	0.45
2	A_g	2177	2067	0.00	4.49	0.75	0.86
3	A_g	1158	1099	0.00	28.68	0.62	0.76
4	A_g	928	881	0.00	25.33	0.20	0.33
5	A_g	300	284	0.00	2.87	0.45	0.62
6	A_u	968	919	118.62	0.00	0.00	0.00
7	A_u	262	248	0.02	0.00	0.75	0.86
8	B_g	681	647	0.00	1.87	0.75	0.86
9	B_u	3445	3271	21.30	0.00	0.29	0.45
10	B_u	1721	1634	93.59	0.00	0.00	0.00
11	B_u	1132	1075	374.03	0.00	0.55	0.71
12	B_u	293	278	7.46	0.00	0.45	0.62

Atom	x (Å)	y (Å)
C1	0.216	-0.607
C2	-0.216	0.607
N3	0.216	-1.855
N4	-0.216	1.855
H5	1.166	-2.231
H6	-1.166	2.231

	C1	C2	N3	N4	H5	H6
C1		1.2890	1.2479	2.4998	1.8812	3.1568
C2	1.2890		2.4998	1.2479	3.1568	1.8812
N3	1.2479	2.4998		3.7352	1.0211	4.3135
N4	2.4998	1.2479	3.7352		4.3135	1.0211
H5	1.8812	3.1568	1.0211	4.3135		5.0346
H6	3.1568	1.8812	4.3135	1.0211	5.0346

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.380		C1	N3	H5	111.613
C2	C1	N3	160.380		C2	N4	H6	111.613

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=FULL/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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