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	hartrees
Energy at 0K	-186.803030
Energy at 298.15K
HF Energy	-186.803030
Nuclear repulsion energy	89.980264

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	3422	3422	0.00	642.07	0.29	0.45
2	A_g	2254	2254	0.00	27.46	0.45	0.62
3	A_g	1170	1170	0.00	24.81	0.51	0.68
4	A_g	951	951	0.00	53.23	0.16	0.28
5	A_g	296	296	0.00	3.58	0.53	0.69
6	A_u	968	968	126.34	0.00	0.00	0.00
7	A_u	254	254	0.09	0.00	0.00	0.00
8	B_g	663	663	0.00	3.25	0.75	0.86
9	B_u	3422	3422	35.25	0.00	0.00	0.00
10	B_u	1790	1790	219.34	0.00	0.00	0.00
11	B_u	1150	1150	330.90	0.00	0.00	0.00
12	B_u	288	288	8.47	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.184	-0.617
C2	-0.184	0.617
N3	0.184	-1.853
N4	-0.184	1.853
H5	1.129	-2.245
H6	-1.129	2.245

	C1	C2	N3	N4	H5	H6
C1		1.2872	1.2362	2.4969	1.8829	3.1489
C2	1.2872		2.4969	1.2362	3.1489	1.8829
N3	1.2362	2.4969		3.7240	1.0231	4.3035
N4	2.4969	1.2362	3.7240		4.3035	1.0231
H5	1.8829	3.1489	1.0231	4.3035		5.0264
H6	3.1489	1.8829	4.3035	1.0231	5.0264

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	163.358		C1	N3	H5	112.557
C2	C1	N3	163.358		C2	N4	H6	112.557

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: M06-2X/daug-cc-pVTZ

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	0.778
2	C	0.778
3	N	-1.076
4	N	-1.076
5	H	0.298
6	H	0.298

	x	y	z
x	4.690	-1.674	0.000
y	-1.674	11.391	0.000
z	0.000	0.000	3.730

<r²>	80.273
(<r²>)^1/2	8.960