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	hartrees
Energy at 0K	-186.761488
Energy at 298.15K
HF Energy	-186.761488
Nuclear repulsion energy	89.436500

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	620.48	0.29	0.45
2	A_g	2239	2239	0.00	31.51	0.41	0.58
3	A_g	1174	1174	0.00	22.72	0.57	0.73
4	A_g	950	950	0.00	51.99	0.17	0.29
5	A_g	303	303	0.00	3.73	0.52	0.69
6	A_u	962	962	126.64	0.00	0.00	0.00
7	A_u	251	251	0.02	0.00	0.00	0.00
8	B_g	671	671	0.00	3.54	0.75	0.86
9	B_u	3425	3425	36.80	0.00	0.29	0.45
10	B_u	1793	1793	216.73	0.00	0.00	0.00
11	B_u	1149	1149	335.26	0.00	0.00	0.00
12	B_u	285	285	7.11	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.221	-0.612
C2	-0.221	0.612
N3	0.221	-1.856
N4	-0.221	1.856
H5	1.174	-2.239
H6	-1.174	2.239

	C1	C2	N3	N4	H5	H6
C1		1.3016	1.2438	2.5074	1.8857	3.1743
C2	1.3016		2.5074	1.2438	3.1743	1.8857
N3	1.2438	2.5074		3.7381	1.0273	4.3262
N4	2.5074	1.2438	3.7381		4.3262	1.0273
H5	1.8857	3.1743	1.0273	4.3262		5.0567
H6	3.1743	1.8857	4.3262	1.0273	5.0567

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.179		C1	N3	H5	111.910
C2	C1	N3	160.179		C2	N4	H6	111.910

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: M06-2X/aug-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	0.108
2	C	0.108
3	N	-0.193
4	N	-0.193
5	H	0.085
6	H	0.085

	x	y	z
x	4.731	-1.847	0.000
y	-1.847	11.272	0.000
z	0.000	0.000	3.629

<r²>	80.891
(<r²>)^1/2	8.994