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	hartrees
Energy at 0K	-31.366203
Energy at 298.15K
HF Energy	-31.366203
Nuclear repulsion energy	45.530776

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	3718	3339	0.00	533.93	0.33	0.49
2	A_g	2343	2104	0.00	101.76	0.40	0.57
3	A_g	1283	1152	0.00	26.25	0.75	0.86
4	A_g	990	889	0.00	57.83	0.24	0.39
5	A_g	297	267	0.00	19.25	0.44	0.61
6	A_u	1030	925	160.65	0.00	0.00	0.00
7	A_u	274	246	0.15	0.00	0.00	0.00
8	B_g	741	665	0.00	16.86	0.75	0.86
9	B_u	3718	3339	44.65	0.00	0.00	0.00
10	B_u	1891	1698	419.03	0.00	0.00	0.00
11	B_u	1260	1132	483.74	0.00	0.00	0.00
12	B_u	299	269	6.31	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.256	-0.613
C2	-0.256	0.613
N3	0.256	-1.853
N4	-0.256	1.853
H5	1.200	-2.220
H6	-1.200	2.220

	C1	C2	N3	N4	H5	H6
C1		1.3283	1.2405	2.5188	1.8640	3.1852
C2	1.3283		2.5188	1.2405	3.1852	1.8640
N3	1.2405	2.5188		3.7419	1.0126	4.3259
N4	2.5188	1.2405	3.7419		4.3259	1.0126
H5	1.8640	3.1852	1.0126	4.3259		5.0473
H6	3.1852	1.8640	4.3259	1.0126	5.0473

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.330		C1	N3	H5	111.241
C2	C1	N3	157.330		C2	N4	H6	111.241

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/CEP-31G*

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	-0.316
2	C	-0.316
3	N	-0.022
4	N	-0.022
5	H	0.338
6	H	0.338

	x	y	z
x	3.935	-2.455	0.000
y	-2.455	10.535	0.000
z	0.000	0.000	2.586

<r²>	65.464
(<r²>)^1/2	8.091