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	hartrees
Energy at 0K	-186.653122
Energy at 298.15K
HF Energy	-186.653122
Nuclear repulsion energy	89.817708

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	3420	3285	0.00	756.84	0.31	0.48
2	A_g	2225	2137	0.00	26.81	0.39	0.56
3	A_g	1178	1132	0.00	22.33	0.75	0.85
4	A_g	947	909	0.00	36.83	0.27	0.42
5	A_g	285	274	0.00	4.13	0.44	0.61
6	A_u	973	935	134.34	0.00	0.00	0.00
7	A_u	257	247	0.00	0.00	0.00	0.00
8	B_g	677	650	0.00	7.23	0.75	0.86
9	B_u	3421	3285	7.72	0.00	0.00	0.00
10	B_u	1783	1712	170.93	0.00	0.00	0.00
11	B_u	1152	1106	370.18	0.00	0.00	0.00
12	B_u	288	276	8.23	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.210	-0.610
C2	-0.210	0.610
N3	0.210	-1.850
N4	-0.210	1.850
H5	1.158	-2.238
H6	-1.158	2.238

	C1	C2	N3	N4	H5	H6
C1		1.2904	1.2401	2.4959	1.8836	3.1591
C2	1.2904		2.4959	1.2401	3.1591	1.8836
N3	1.2401	2.4959		3.7242	1.0244	4.3105
N4	2.4959	1.2401	3.7242		4.3105	1.0244
H5	1.8836	3.1591	1.0244	4.3105		5.0389
H6	3.1591	1.8836	4.3105	1.0244	5.0389

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.045		C1	N3	H5	112.216
C2	C1	N3	161.045		C2	N4	H6	112.216

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	0.163
2	C	0.163
3	N	-0.375
4	N	-0.375
5	H	0.212
6	H	0.212

	x	y	z
x	3.625	-2.000	0.000
y	-2.000	10.330	0.000
z	0.000	0.000	2.364

<r²>	80.011
(<r²>)^1/2	8.945