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	hartrees
Energy at 0K	-185.708834
Energy at 298.15K
HF Energy	-185.708834
Nuclear repulsion energy	90.397600

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	3667	3340	0.00	536.95	0.30	0.46
2	A_g	2427	2210	0.00	101.70	0.35	0.52
3	A_g	1275	1161	0.00	16.43	0.61	0.75
4	A_g	997	908	0.00	64.61	0.17	0.29
5	A_g	323	294	0.00	6.92	0.61	0.76
6	A_u	1038	945	147.06	0.00	0.00	0.00
7	A_u	275	250	0.59	0.00	0.00	0.00
8	B_g	697	635	0.00	5.69	0.75	0.86
9	B_u	3668	3340	56.05	0.00	0.00	0.00
10	B_u	1883	1714	358.05	0.00	0.00	0.00
11	B_u	1271	1158	343.02	0.00	0.00	0.00
12	B_u	312	284	9.50	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.142	-0.626
C2	-0.142	0.626
N3	0.142	-1.855
N4	-0.142	1.855
H5	1.077	-2.240
H6	-1.077	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2833	1.2291	2.4967	1.8653	3.1141
C2	1.2833		2.4967	1.2291	3.1141	1.8653
N3	1.2291	2.4967		3.7204	1.0109	4.2723
N4	2.4967	1.2291	3.7204		4.2723	1.0109
H5	1.8653	3.1141	1.0109	4.2723		4.9706
H6	3.1141	1.8653	4.2723	1.0109	4.9706

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	167.192		C1	N3	H5	112.396
C2	C1	N3	167.192		C2	N4	H6	112.396

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/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	0.194
2	C	0.194
3	N	-0.315
4	N	-0.315
5	H	0.121
6	H	0.121

	x	y	z
x	4.334	-1.479	0.000
y	-1.479	11.493	0.000
z	0.000	0.000	3.609

<r²>	80.164
(<r²>)^1/2	8.953