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	hartrees
Energy at 0K	-186.833305
Energy at 298.15K
HF Energy	-186.833305
Nuclear repulsion energy	88.921340

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	3323	3231	0.00	866.18	0.31	0.47
2	A_g	2097	2039	0.00	26.02	0.36	0.53
3	A_g	1182	1149	0.00	26.25	0.74	0.85
4	A_g	931	906	0.00	33.16	0.25	0.40
5	A_g	326	317	0.00	3.99	0.42	0.60
6	A_u	949	923	111.51	0.00	0.00	0.00
7	A_u	250	243	0.10	0.00	0.00	0.00
8	B_g	700	681	0.00	11.20	0.75	0.86
9	B_u	3323	3231	4.18	0.00	0.31	0.47
10	B_u	1747	1699	141.95	0.00	0.00	0.00
11	B_u	1139	1107	402.00	0.00	0.00	0.00
12	B_u	287	279	6.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.298	-0.588
C2	-0.298	0.588
N3	0.298	-1.842
N4	-0.298	1.842
H5	1.264	-2.216
H6	-1.264	2.216

	C1	C2	N3	N4	H5	H6
C1		1.3181	1.2537	2.5015	1.8933	3.2097
C2	1.3181		2.5015	1.2537	3.2097	1.8933
N3	1.2537	2.5015		3.7310	1.0359	4.3480
N4	2.5015	1.2537	3.7310		4.3480	1.0359
H5	1.8933	3.2097	1.0359	4.3480		5.1025
H6	3.2097	1.8933	4.3480	1.0359	5.1025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.135		C1	N3	H5	111.211
C2	C1	N3	153.135		C2	N4	H6	111.211

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/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	0.023
2	C	0.023
3	N	-0.160
4	N	-0.160
5	H	0.137
6	H	0.137

	x	y	z
x	4.009	-2.527	0.000
y	-2.527	10.017	0.000
z	0.000	0.000	2.271

<r²>	80.431
(<r²>)^1/2	8.968