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	hartrees
Energy at 0K	-186.468429
Energy at 298.15K
HF Energy	-185.747302
Nuclear repulsion energy	89.504780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3453	3300	0.00
2	A_g	2162	2067	0.00
3	A_g	1191	1138	0.00
4	A_g	930	889	0.00
5	A_g	305	292	0.00
6	A_u	962	920	116.73
7	A_u	247	236	0.07
8	B_g	664	635	0.00
9	B_u	3453	3300	21.78
10	B_u	1742	1665	161.60
11	B_u	1168	1117	370.45
12	B_u	284	271	5.24

Atom	x (Å)	y (Å)
C1	0.243	-0.604
C2	-0.243	0.604
N3	0.243	-1.849
N4	-0.243	1.849
H5	1.191	-2.227
H6	-1.191	2.227

	C1	C2	N3	N4	H5	H6
C1		1.3015	1.2457	2.5007	1.8796	3.1729
C2	1.3015		2.5007	1.2457	3.1729	1.8796
N3	1.2457	2.5007		3.7305	1.0207	4.3209
N4	2.5007	1.2457	3.7305		4.3209	1.0207
H5	1.8796	3.1729	1.0207	4.3209		5.0504
H6	3.1729	1.8796	4.3209	1.0207	5.0504

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.090		C1	N3	H5	111.681
C2	C1	N3	158.090		C2	N4	H6	111.681

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CCSD/aug-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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