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	hartrees
Energy at 0K	-186.619556
Energy at 298.15K
HF Energy	-186.619556
Nuclear repulsion energy	89.321639

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	3392	3263	0.00	830.02	0.31	0.47
2	A_g	2209	2125	0.00	23.61	0.39	0.56
3	A_g	1181	1136	0.00	22.65	0.74	0.85
4	A_g	950	914	0.00	35.70	0.27	0.43
5	A_g	286	275	0.00	3.42	0.47	0.64
6	A_u	961	925	119.31	0.00	0.00	0.00
7	A_u	254	245	0.00	0.00	0.00	0.00
8	B_g	681	655	0.00	8.68	0.75	0.86
9	B_u	3393	3264	6.96	0.00	0.00	0.00
10	B_u	1790	1722	167.40	0.00	0.00	0.00
11	B_u	1151	1107	367.61	0.00	0.00	0.00
12	B_u	287	276	6.81	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.241	-0.606
C2	-0.241	0.606
N3	0.241	-1.852
N4	-0.241	1.852
H5	1.202	-2.227
H6	-1.202	2.227

	C1	C2	N3	N4	H5	H6
C1		1.3041	1.2464	2.5048	1.8850	3.1796
C2	1.3041		2.5048	1.2464	3.1796	1.8850
N3	1.2464	2.5048		3.7356	1.0318	4.3273
N4	2.5048	1.2464	3.7356		4.3273	1.0318
H5	1.8850	3.1796	1.0318	4.3273		5.0622
H6	3.1796	1.8850	4.3273	1.0318	5.0622

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.292		C1	N3	H5	111.315
C2	C1	N3	158.292		C2	N4	H6	111.315

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.025
2	C	0.025
3	N	-0.164
4	N	-0.164
5	H	0.139
6	H	0.139

	x	y	z
x	3.656	-2.244	0.000
y	-2.244	10.043	0.000
z	0.000	0.000	2.249

<r²>	80.327
(<r²>)^1/2	8.963