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	hartrees
Energy at 0K	-184.322715
Energy at 298.15K
HF Energy	-184.322715
Nuclear repulsion energy	86.294490

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	3265	3265	0.00	440.53	0.32	0.49
2	A_g	1956	1956	0.00	23.65	0.32	0.48
3	A_g	1237	1237	0.00	37.92	0.73	0.84
4	A_g	919	919	0.00	24.13	0.22	0.37
5	A_g	369	369	0.00	0.90	0.42	0.60
6	A_u	906	906	80.74	0.00	0.00	0.00
7	A_u	232	232	0.00	0.00	0.00	0.00
8	B_g	715	715	0.00	18.06	0.75	0.86
9	B_u	3264	3264	16.64	0.00	0.00	0.00
10	B_u	1675	1675	11.56	0.00	0.00	0.00
11	B_u	1187	1187	270.85	0.00	0.00	0.00
12	B_u	288	288	3.42	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.200	-0.642
C2	-0.200	0.642
N3	-0.200	-1.889
N4	0.200	1.889
H5	0.692	-2.515
H6	-0.692	2.515

	C1	C2	N3	N4	H5	H6
C1		1.3456	1.3088	2.5314	1.9364	3.2812
C2	1.3456		2.5314	1.3088	3.2812	1.9364
N3	1.3088	2.5314		3.7989	1.0895	4.4316
N4	2.5314	1.3088	3.7989		4.4316	1.0895
H5	1.9364	3.2812	1.0895	4.4316		5.2174
H6	3.2812	1.9364	4.4316	1.0895	5.2174

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	144.983		C1	N3	H5	107.336
C2	C1	N3	144.983		C2	N4	H6	107.336

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/STO-3G

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	0.046
2	C	0.046
3	N	-0.231
4	N	-0.231
5	H	0.185
6	H	0.185

	x	y	z
x	1.599	-0.906	0.000
y	-0.906	8.361	0.000
z	0.000	0.000	0.830

<r²>	82.162
(<r²>)^1/2	9.064