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	hartrees
Energy at 0K	-186.782926
Energy at 298.15K
HF Energy	-186.782926
Nuclear repulsion energy	89.870259

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	3456	3306	0.00	655.10	0.31	0.48
2	A_g	2241	2143	0.00	31.36	0.37	0.54
3	A_g	1185	1134	0.00	20.10	0.75	0.86
4	A_g	945	904	0.00	37.75	0.27	0.43
5	A_g	281	269	0.00	4.99	0.42	0.60
6	A_u	976	934	138.62	0.00	0.00	0.00
7	A_u	254	243	0.02	0.00	0.00	0.00
8	B_g	674	645	0.00	7.85	0.75	0.86
9	B_u	3457	3306	12.09	0.00	0.00	0.00
10	B_u	1782	1705	198.38	0.00	0.00	0.00
11	B_u	1158	1107	385.12	0.00	0.00	0.00
12	B_u	287	275	8.03	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.206	-0.611
C2	-0.206	0.611
N3	0.206	-1.850
N4	-0.206	1.850
H5	1.154	-2.234
H6	-1.154	2.234

	C1	C2	N3	N4	H5	H6
C1		1.2903	1.2391	2.4961	1.8795	3.1540
C2	1.2903		2.4961	1.2391	3.1540	1.8795
N3	1.2391	2.4961		3.7238	1.0229	4.3051
N4	2.4961	1.2391	3.7238		4.3051	1.0229
H5	1.8795	3.1540	1.0229	4.3051		5.0294
H6	3.1540	1.8795	4.3051	1.0229	5.0294

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.373		C1	N3	H5	112.029
C2	C1	N3	161.373		C2	N4	H6	112.029

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/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	0.147
2	C	0.147
3	N	-0.363
4	N	-0.363
5	H	0.216
6	H	0.216

	x	y	z
x	3.596	-1.964	0.000
y	-1.964	10.298	0.000
z	0.000	0.000	2.370

<r²>	79.976
(<r²>)^1/2	8.943