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	hartrees
Energy at 0K	-186.800614
Energy at 298.15K
HF Energy	-186.800614
Nuclear repulsion energy	88.421908

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	3258	3258	0.00	888.70	0.32	0.48
2	A_g	1982	1982	0.00	24.33	0.37	0.54
3	A_g	1151	1151	0.00	44.77	0.44	0.61
4	A_g	899	899	0.00	47.79	0.14	0.24
5	A_g	349	349	0.00	1.77	0.64	0.78
6	A_u	915	915	108.27	0.00	0.00	0.00
7	A_u	244	244	0.09	0.00	0.00	0.00
8	B_g	689	689	0.00	4.65	0.75	0.86
9	B_u	3258	3258	1.65	0.00	0.00	0.00
10	B_u	1678	1678	146.81	0.00	0.00	0.00
11	B_u	1099	1099	388.53	0.00	0.00	0.00
12	B_u	273	273	7.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.318	-0.583
C2	-0.318	0.583
N3	0.318	-1.845
N4	-0.318	1.845
H5	1.276	-2.242
H6	-1.276	2.242

	C1	C2	N3	N4	H5	H6
C1		1.3285	1.2615	2.5096	1.9157	3.2440
C2	1.3285		2.5096	1.2615	3.2440	1.9157
N3	1.2615	2.5096		3.7436	1.0371	4.3867
N4	2.5096	1.2615	3.7436		4.3867	1.0371
H5	1.9157	3.2440	1.0371	4.3867		5.1597
H6	3.2440	1.9157	4.3867	1.0371	5.1597

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.370		C1	N3	H5	112.542
C2	C1	N3	151.370		C2	N4	H6	112.542

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: BLYP/daug-cc-pVDZ

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	0.169
2	C	0.169
3	N	-0.119
4	N	-0.119
5	H	-0.051
6	H	-0.051

	x	y	z
x	5.585	-2.439	0.000
y	-2.439	12.036	0.000
z	0.000	0.000	4.005

<r²>	81.847
(<r²>)^1/2	9.047