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	hartrees
Energy at 0K	-186.848449
Energy at 298.15K
HF Energy	-186.848449
Nuclear repulsion energy	89.012186

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	3354	3354	0.00	771.95	0.31	0.47
2	A_g	2085	2085	0.00	29.52	0.37	0.54
3	A_g	1178	1178	0.00	35.66	0.48	0.65
4	A_g	927	927	0.00	49.09	0.14	0.25
5	A_g	338	338	0.00	2.26	0.57	0.73
6	A_u	949	949	111.80	0.00	0.00	0.00
7	A_u	249	249	0.04	0.00	0.00	0.00
8	B_g	698	698	0.00	4.62	0.75	0.86
9	B_u	3354	3354	4.84	0.00	0.31	0.47
10	B_u	1734	1734	167.21	0.00	0.00	0.00
11	B_u	1136	1136	389.48	0.00	0.00	0.00
12	B_u	282	282	6.77	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.294	-0.589
C2	-0.294	0.589
N3	0.294	-1.841
N4	-0.294	1.841
H5	1.249	-2.229
H6	-1.249	2.229

	C1	C2	N3	N4	H5	H6
C1		1.3157	1.2527	2.5001	1.8978	3.2119
C2	1.3157		2.5001	1.2527	3.2119	1.8978
N3	1.2527	2.5001		3.7294	1.0305	4.3525
N4	2.5001	1.2527	3.7294		4.3525	1.0305
H5	1.8978	3.2119	1.0305	4.3525		5.1092
H6	3.2119	1.8978	4.3525	1.0305	5.1092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.488		C1	N3	H5	112.069
C2	C1	N3	153.488		C2	N4	H6	112.069

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/daug-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	0.186
2	C	0.186
3	N	-0.245
4	N	-0.245
5	H	0.059
6	H	0.059

	x	y	z
x	5.272	-2.279	0.000
y	-2.279	11.630	0.000
z	0.000	0.000	3.858

<r²>	80.899
(<r²>)^1/2	8.994