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	hartrees
Energy at 0K	-186.865674
Energy at 298.15K
HF Energy	-186.865674
Nuclear repulsion energy	89.422032

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	3360	3360	0.00	790.35	0.32	0.48
2	A_g	2122	2122	0.00	29.30	0.37	0.54
3	A_g	1182	1182	0.00	25.41	0.74	0.85
4	A_g	929	929	0.00	35.09	0.24	0.39
5	A_g	309	309	0.00	4.82	0.35	0.52
6	A_u	964	964	126.11	0.00	0.00	0.00
7	A_u	253	253	0.03	0.00	0.00	0.00
8	B_g	693	693	0.00	9.12	0.75	0.86
9	B_u	3360	3360	3.19	0.00	0.00	0.00
10	B_u	1742	1742	142.99	0.00	0.00	0.00
11	B_u	1144	1144	400.85	0.00	0.00	0.00
12	B_u	286	286	6.90	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.264	-0.595
C2	-0.264	0.595
N3	0.264	-1.843
N4	-0.264	1.843
H5	1.216	-2.229
H6	-1.216	2.229

	C1	C2	N3	N4	H5	H6
C1		1.3025	1.2473	2.4945	1.8910	3.1888
C2	1.3025		2.4945	1.2473	3.1888	1.8910
N3	1.2473	2.4945		3.7229	1.0276	4.3324
N4	2.4945	1.2473	3.7229		4.3324	1.0276
H5	1.8910	3.1888	1.0276	4.3324		5.0785
H6	3.1888	1.8910	4.3324	1.0276	5.0785

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.097		C1	N3	H5	112.090
C2	C1	N3	156.097		C2	N4	H6	112.090

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/6-311G**

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	0.158
2	C	0.158
3	N	-0.369
4	N	-0.369
5	H	0.211
6	H	0.211

	x	y	z
x	3.947	-2.287	0.000
y	-2.287	10.339	0.000
z	0.000	0.000	2.401

<r²>	80.182
(<r²>)^1/2	8.954