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	hartrees
Energy at 0K	-186.619587
Energy at 298.15K
HF Energy	-186.619587
Nuclear repulsion energy	89.770560

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	3425	3281	0.00	693.52	0.31	0.47
2	A_g	2240	2145	0.00	24.00	0.37	0.54
3	A_g	1168	1119	0.00	23.20	0.69	0.82
4	A_g	951	911	0.00	38.48	0.26	0.42
5	A_g	290	278	0.00	2.17	0.47	0.64
6	A_u	973	932	123.32	0.00	0.00	0.00
7	A_u	262	251	0.24	0.00	0.00	0.00
8	B_g	677	648	0.00	6.74	0.75	0.86
9	B_u	3426	3281	6.45	0.00	0.00	0.00
10	B_u	1790	1715	157.48	0.00	0.00	0.00
11	B_u	1147	1098	356.91	0.00	0.00	0.00
12	B_u	294	281	6.46	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.202	-0.612
C2	-0.202	0.612
N3	0.202	-1.853
N4	-0.202	1.853
H5	1.150	-2.243
H6	-1.150	2.243

	C1	C2	N3	N4	H5	H6
C1		1.2893	1.2410	2.4982	1.8863	3.1591
C2	1.2893		2.4982	1.2410	3.1591	1.8863
N3	1.2410	2.4982		3.7283	1.0247	4.3136
N4	2.4982	1.2410	3.7283		4.3136	1.0247
H5	1.8863	3.1591	1.0247	4.3136		5.0412
H6	3.1591	1.8863	4.3136	1.0247	5.0412

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.723		C1	N3	H5	112.367
C2	C1	N3	161.723		C2	N4	H6	112.367

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.210
2	C	0.210
3	N	-0.490
4	N	-0.490
5	H	0.280
6	H	0.280

	x	y	z
x	3.673	-1.993	0.000
y	-1.993	10.257	0.000
z	0.000	0.000	2.530

<r²>	79.932
(<r²>)^1/2	8.940