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	hartrees
Energy at 0K	-186.802684
Energy at 298.15K
HF Energy	-186.802684
Nuclear repulsion energy	89.980823

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	3270	0.00	634.22	0.29	0.45
2	A_g	2258	2158	0.00	28.96	0.44	0.61
3	A_g	1169	1118	0.00	24.20	0.52	0.69
4	A_g	951	909	0.00	53.05	0.16	0.28
5	A_g	294	281	0.00	3.64	0.54	0.70
6	A_u	968	925	126.25	0.00	0.00	0.00
7	A_u	254	243	0.09	0.00	0.00	0.00
8	B_g	663	633	0.00	3.20	0.75	0.86
9	B_u	3422	3271	35.14	0.00	0.00	0.00
10	B_u	1790	1711	219.90	0.00	0.00	0.00
11	B_u	1150	1099	329.63	0.00	0.00	0.00
12	B_u	288	275	8.55	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.183	-0.617
C2	-0.183	0.617
N3	0.183	-1.853
N4	-0.183	1.853
H5	1.128	-2.246
H6	-1.128	2.246

	C1	C2	N3	N4	H5	H6
C1		1.2870	1.2362	2.4971	1.8828	3.1483
C2	1.2870		2.4971	1.2362	3.1483	1.8828
N3	1.2362	2.4971		3.7243	1.0231	4.3032
N4	2.4971	1.2362	3.7243		4.3032	1.0231
H5	1.8828	3.1483	1.0231	4.3032		5.0256
H6	3.1483	1.8828	4.3032	1.0231	5.0256

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	163.483		C1	N3	H5	112.551
C2	C1	N3	163.483		C2	N4	H6	112.551

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: M06-2X/aug-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	0.384
2	C	0.384
3	N	-0.549
4	N	-0.549
5	H	0.166
6	H	0.166

	x	y	z
x	4.673	-1.668	0.000
y	-1.668	11.381	0.000
z	0.000	0.000	3.715

<r²>	80.282
(<r²>)^1/2	8.960