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	hartrees
Energy at 0K	-186.705813
Energy at 298.15K
HF Energy	-186.705813
Nuclear repulsion energy	87.990324

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	3200	3176	0.00	1006.24	0.32	0.49
2	A_g	2015	1999	0.00	20.70	0.34	0.51
3	A_g	1142	1133	0.00	43.39	0.75	0.85
4	A_g	908	901	0.00	32.74	0.27	0.43
5	A_g	375	372	0.00	4.06	0.43	0.60
6	A_u	927	920	143.89	0.00	0.00	0.00
7	A_u	249	247	0.37	0.00	0.00	0.00
8	B_g	707	701	0.00	19.24	0.75	0.86
9	B_u	3201	3177	19.99	0.00	0.00	0.00
10	B_u	1684	1671	85.22	0.00	0.00	0.00
11	B_u	1058	1050	505.08	0.00	0.00	0.00
12	B_u	279	277	9.31	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.316	-0.582
C2	-0.316	0.582
N3	0.316	-1.853
N4	-0.316	1.853
H5	1.257	-2.300
H6	-1.257	2.300

	C1	C2	N3	N4	H5	H6
C1		1.3249	1.2703	2.5156	1.9590	3.2840
C2	1.3249		2.5156	1.2703	3.2840	1.9590
N3	1.2703	2.5156		3.7588	1.0424	4.4410
N4	2.5156	1.2703	3.7588		4.4410	1.0424
H5	1.9590	3.2840	1.0424	4.4410		5.2430
H6	3.2840	1.9590	4.4410	1.0424	5.2430

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.539		C1	N3	H5	115.440
C2	C1	N3	151.539		C2	N4	H6	115.440

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: BLYP/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	0.154
2	C	0.154
3	N	-0.436
4	N	-0.436
5	H	0.282
6	H	0.282

	x	y	z
x	3.889	-2.736	0.000
y	-2.736	10.447	0.000
z	0.000	0.000	1.808

<r²>	82.032
(<r²>)^1/2	9.057