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	hartrees
Energy at 0K	-186.584351
Energy at 298.15K
HF Energy	-186.584351
Nuclear repulsion energy	89.460661

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	3418	3258	0.00	717.79	0.32	0.48
2	A_g	2203	2100	0.00	27.24	0.38	0.55
3	A_g	1199	1143	0.00	27.15	0.75	0.86
4	A_g	956	911	0.00	36.80	0.29	0.45
5	A_g	330	315	0.00	4.00	0.34	0.51
6	A_u	973	927	143.05	0.00	0.00	0.00
7	A_u	256	244	0.06	0.00	0.00	0.00
8	B_g	692	659	0.00	12.17	0.75	0.86
9	B_u	3419	3259	2.47	0.00	0.00	0.00
10	B_u	1799	1715	165.35	0.00	0.00	0.00
11	B_u	1159	1105	401.02	0.00	0.00	0.00
12	B_u	287	273	6.90	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.253	-0.600
C2	-0.253	0.600
N3	0.253	-1.846
N4	-0.253	1.846
H5	1.204	-2.231
H6	-1.204	2.231

	C1	C2	N3	N4	H5	H6
C1		1.3025	1.2455	2.4975	1.8884	3.1845
C2	1.3025		2.4975	1.2455	3.1845	1.8884
N3	1.2455	2.4975		3.7258	1.0266	4.3296
N4	2.4975	1.2455	3.7258		4.3296	1.0266
H5	1.8884	3.1845	1.0266	4.3296		5.0712
H6	3.1845	1.8884	4.3296	1.0266	5.0712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.132		C1	N3	H5	112.065
C2	C1	N3	157.132		C2	N4	H6	112.065

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/6-31G**

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	0.247
2	C	0.247
3	N	-0.593
4	N	-0.593
5	H	0.346
6	H	0.346

	x	y	z
x	3.573	-2.258	0.000
y	-2.258	10.025	0.000
z	0.000	0.000	2.002

<r²>	80.119
(<r²>)^1/2	8.951