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	hartrees
Energy at 0K	-186.645720
Energy at 298.15K
HF Energy	-186.645720
Nuclear repulsion energy	89.822653

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	3423	3284	0.00	756.96	0.32	0.48
2	A_g	2218	2128	0.00	26.47	0.40	0.57
3	A_g	1198	1150	0.00	24.66	0.75	0.85
4	A_g	947	909	0.00	36.80	0.26	0.42
5	A_g	300	288	0.00	4.45	0.41	0.58
6	A_u	982	943	145.25	0.00	0.00	0.00
7	A_u	259	248	0.00	0.00	0.00	0.00
8	B_g	684	656	0.00	7.76	0.75	0.86
9	B_u	3424	3285	2.38	0.00	0.00	0.00
10	B_u	1783	1711	168.46	0.00	0.00	0.00
11	B_u	1167	1120	399.24	0.00	0.00	0.00
12	B_u	288	277	8.71	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.218	-0.608
C2	-0.218	0.608
N3	0.218	-1.848
N4	-0.218	1.848
H5	1.162	-2.242
H6	-1.162	2.242

	C1	C2	N3	N4	H5	H6
C1		1.2915	1.2399	2.4940	1.8874	3.1665
C2	1.2915		2.4940	1.2399	3.1665	1.8874
N3	1.2399	2.4940		3.7211	1.0235	4.3163
N4	2.4940	1.2399	3.7211		4.3163	1.0235
H5	1.8874	3.1665	1.0235	4.3163		5.0508
H6	3.1665	1.8874	4.3163	1.0235	5.0508

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.285		C1	N3	H5	112.651
C2	C1	N3	160.285		C2	N4	H6	112.651

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HSEh1PBE/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	0.209
2	C	0.209
3	N	-0.527
4	N	-0.527
5	H	0.319
6	H	0.319

	x	y	z
x	3.612	-2.035	0.000
y	-2.035	10.296	0.000
z	0.000	0.000	2.304

<r²>	80.011
(<r²>)^1/2	8.945