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	hartrees
Energy at 0K	-186.762469
Energy at 298.15K
HF Energy	-186.762469
Nuclear repulsion energy	89.454816

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	3425	0.00	630.03	0.29	0.45
2	A_g	2245	2245	0.00	27.99	0.44	0.61
3	A_g	1179	1179	0.00	24.53	0.52	0.68
4	A_g	949	949	0.00	52.76	0.16	0.27
5	A_g	294	294	0.00	3.57	0.51	0.67
6	A_u	964	964	125.16	0.00	0.00	0.00
7	A_u	253	253	0.04	0.00	0.00	0.00
8	B_g	671	671	0.00	3.57	0.75	0.86
9	B_u	3425	3425	36.56	0.00	0.29	0.45
10	B_u	1792	1792	215.74	0.00	0.00	0.00
11	B_u	1156	1156	327.07	0.00	0.00	0.00
12	B_u	286	286	7.29	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.214	-0.614
C2	-0.214	0.614
N3	0.214	-1.858
N4	-0.214	1.858
H5	1.167	-2.239
H6	-1.167	2.239

	C1	C2	N3	N4	H5	H6
C1		1.2999	1.2438	2.5081	1.8845	3.1696
C2	1.2999		2.5081	1.2438	3.1696	1.8845
N3	1.2438	2.5081		3.7397	1.0270	4.3233
N4	2.5081	1.2438	3.7397		4.3233	1.0270
H5	1.8845	3.1696	1.0270	4.3233		5.0504
H6	3.1696	1.8845	4.3233	1.0270	5.0504

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.799		C1	N3	H5	111.812
C2	C1	N3	160.799		C2	N4	H6	111.812

All results from a given calculation for HNCCNH (Ethenediimine)

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

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	0.057
2	C	0.057
3	N	-0.125
4	N	-0.125
5	H	0.068
6	H	0.068

	x	y	z
x	4.776	-1.811	0.000
y	-1.811	11.330	0.000
z	0.000	0.000	3.728

<r²>	80.899
(<r²>)^1/2	8.994