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	hartrees
Energy at 0K	-186.673372
Energy at 298.15K
HF Energy	-186.673372
Nuclear repulsion energy	89.940413

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	3418	3285	0.00	771.80	0.30	0.46
2	A_g	2214	2128	0.00	26.42	0.40	0.57
3	A_g	1177	1131	0.00	20.24	0.68	0.81
4	A_g	946	910	0.00	40.09	0.22	0.37
5	A_g	295	284	0.00	2.95	0.56	0.72
6	A_u	972	934	124.04	0.00	0.00	0.00
7	A_u	256	246	0.02	0.00	0.00	0.00
8	B_g	673	647	0.00	4.92	0.75	0.86
9	B_u	3419	3286	8.17	0.00	0.00	0.00
10	B_u	1779	1710	174.69	0.00	0.00	0.00
11	B_u	1149	1105	376.04	0.00	0.00	0.00
12	B_u	290	278	6.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.209	-0.610
C2	-0.209	0.610
N3	0.209	-1.848
N4	-0.209	1.848
H5	1.153	-2.241
H6	-1.153	2.241

	C1	C2	N3	N4	H5	H6
C1		1.2890	1.2380	2.4925	1.8845	3.1592
C2	1.2890		2.4925	1.2380	3.1592	1.8845
N3	1.2380	2.4925		3.7187	1.0226	4.3092
N4	2.4925	1.2380	3.7187		4.3092	1.0226
H5	1.8845	3.1592	1.0226	4.3092		5.0401
H6	3.1592	1.8845	4.3092	1.0226	5.0401

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.046		C1	N3	H5	112.602
C2	C1	N3	161.046		C2	N4	H6	112.602

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.016
2	C	-0.016
3	N	-0.154
4	N	-0.154
5	H	0.170
6	H	0.170

	x	y	z
x	4.125	-1.956	0.000
y	-1.956	10.734	0.000
z	0.000	0.000	2.980

<r²>	79.913
(<r²>)^1/2	8.939