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	hartrees
Energy at 0K	-32.124284
Energy at 298.15K
HF Energy	-32.124284
Nuclear repulsion energy	44.454023

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	3414	3306	0.00	690.68	0.33	0.49
2	A_g	1966	1904	0.00	50.63	0.33	0.50
3	A_g	1127	1091	0.00	35.71	0.71	0.83
4	A_g	897	869	0.00	40.78	0.22	0.37
5	A_g	395	383	0.00	8.65	0.38	0.55
6	A_u	925	895	167.24	0.00	0.00	0.00
7	A_u	250	242	1.15	0.00	0.00	0.00
8	B_g	748	724	0.00	19.07	0.75	0.86
9	B_u	3415	3307	12.08	0.00	0.00	0.00
10	B_u	1704	1650	145.56	0.00	0.00	0.00
11	B_u	1020	987	671.96	0.00	0.00	0.00
12	B_u	285	276	15.19	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.189	-0.659
C2	-0.189	0.659
N3	-0.189	-1.876
N4	0.189	1.876
H5	0.566	-2.584
H6	-0.566	2.584

	C1	C2	N3	N4	H5	H6
C1		1.3723	1.2745	2.5360	1.9613	3.3306
C2	1.3723		2.5360	1.2745	3.3306	1.9613
N3	1.2745	2.5360		3.7720	1.0354	4.4766
N4	2.5360	1.2745	3.7720		4.4766	1.0354
H5	1.9613	3.3306	1.0354	4.4766		5.2912
H6	3.3306	1.9613	4.4766	1.0354	5.2912

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	146.696		C1	N3	H5	115.840
C2	C1	N3	146.696		C2	N4	H6	115.840

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/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	-0.288
2	C	-0.288
3	N	0.012
4	N	0.012
5	H	0.277
6	H	0.277

	x	y	z
x	3.478	-0.719	0.000
y	-0.719	11.886	0.000
z	0.000	0.000	2.353

<r²>	67.112
(<r²>)^1/2	8.192