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	hartrees
Energy at 0K	-185.605257
Energy at 298.15K
HF Energy	-185.605257
Nuclear repulsion energy	89.703291

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	3691	3322	0.00	617.88	0.33	0.50
2	A_g	2444	2199	0.00	134.01	0.29	0.45
3	A_g	1230	1107	0.00	27.38	0.57	0.73
4	A_g	986	887	0.00	61.22	0.27	0.43
5	A_g	359	323	0.00	10.45	0.50	0.67
6	A_u	1068	961	209.91	0.00	0.00	0.00
7	A_u	280	252	0.00	0.00	0.00	0.00
8	B_g	710	639	0.00	18.55	0.75	0.86
9	B_u	3693	3323	50.18	0.00	0.00	0.00
10	B_u	1859	1673	263.27	0.00	0.00	0.00
11	B_u	1184	1065	621.54	0.00	0.00	0.00
12	B_u	310	279	22.44	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.129	-0.627
C2	-0.129	0.627
N3	0.129	-1.869
N4	-0.129	1.869
H5	1.025	-2.337
H6	-1.025	2.337

	C1	C2	N3	N4	H5	H6
C1		1.2796	1.2429	2.5095	1.9309	3.1806
C2	1.2796		2.5095	1.2429	3.1806	1.9309
N3	1.2429	2.5095		3.7479	1.0104	4.3621
N4	2.5095	1.2429	3.7479		4.3621	1.0104
H5	1.9309	3.1806	1.0104	4.3621		5.1041
H6	3.1806	1.9309	4.3621	1.0104	5.1041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	168.349		C1	N3	H5	117.574
C2	C1	N3	168.349		C2	N4	H6	117.574

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/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	0.048
2	C	0.048
3	N	-0.358
4	N	-0.358
5	H	0.310
6	H	0.310

	x	y	z
x	2.870	-1.673	0.000
y	-1.673	11.519	0.000
z	0.000	0.000	2.054

<r²>	81.666
(<r²>)^1/2	9.037