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	hartrees
Energy at 0K	-186.686547
Energy at 298.15K
HF Energy	-186.686547
Nuclear repulsion energy	88.584452

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	3485	3485	0.00	659.94	0.33	0.49
2	A_g	2212	2212	0.00	33.67	0.29	0.45
3	A_g	1133	1133	0.00	35.21	0.68	0.81
4	A_g	932	932	0.00	44.79	0.26	0.41
5	A_g	303	303	0.00	9.42	0.37	0.54
6	A_u	974	974	176.73	0.00	0.00	0.00
7	A_u	254	254	0.31	0.00	0.00	0.00
8	B_g	679	679	0.00	12.09	0.75	0.86
9	B_u	3486	3486	11.23	0.00	0.00	0.00
10	B_u	1756	1756	166.49	0.00	0.00	0.00
11	B_u	1056	1056	607.60	0.00	0.00	0.00
12	B_u	281	281	12.63	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.234	-0.610
C2	-0.234	0.610
N3	0.234	-1.869
N4	-0.234	1.869
H5	1.154	-2.327
H6	-1.154	2.327

	C1	C2	N3	N4	H5	H6
C1		1.3064	1.2593	2.5227	1.9484	3.2488
C2	1.3064		2.5227	1.2593	3.2488	1.9484
N3	1.2593	2.5227		3.7673	1.0278	4.4201
N4	2.5227	1.2593	3.7673		4.4201	1.0278
H5	1.9484	3.2488	1.0278	4.4201		5.1957
H6	3.2488	1.9484	4.4201	1.0278	5.1957

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.987		C1	N3	H5	116.486
C2	C1	N3	158.987		C2	N4	H6	116.486

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/LANL2DZ

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	0.008
2	C	0.008
3	N	-0.303
4	N	-0.303
5	H	0.295
6	H	0.295

	x	y	z
x	3.534	-2.180	0.000
y	-2.180	10.992	0.000
z	0.000	0.000	2.059

<r²>	82.161
(<r²>)^1/2	9.064