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	hartrees
Energy at 0K	-186.762173
Energy at 298.15K
HF Energy	-186.762173
Nuclear repulsion energy	89.279929

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	3302	3255	0.00	862.31	0.32	0.48
2	A_g	2043	2013	0.00	28.79	0.38	0.55
3	A_g	1155	1138	0.00	33.04	0.74	0.85
4	A_g	917	903	0.00	40.91	0.19	0.32
5	A_g	350	345	0.00	8.50	0.25	0.39
6	A_u	938	925	123.70	0.00	0.00	0.00
7	A_u	249	245	0.15	0.00	0.00	0.00
8	B_g	700	690	0.00	9.23	0.75	0.86
9	B_u	3302	3255	0.59	0.00	0.32	0.48
10	B_u	1714	1689	142.60	0.00	0.00	0.00
11	B_u	1106	1090	388.67	0.00	0.00	0.00
12	B_u	279	275	8.73	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.295	-0.585
C2	-0.295	0.585
N3	0.295	-1.834
N4	-0.295	1.834
H5	1.245	-2.230
H6	-1.245	2.230

	C1	C2	N3	N4	H5	H6
C1		1.3109	1.2489	2.4906	1.8993	3.2089
C2	1.3109		2.4906	1.2489	3.2089	1.8993
N3	1.2489	2.4906		3.7157	1.0291	4.3462
N4	2.4906	1.2489	3.7157		4.3462	1.0291
H5	1.8993	3.2089	1.0291	4.3462		5.1079
H6	3.2089	1.8993	4.3462	1.0291	5.1079

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.273		C1	N3	H5	112.620
C2	C1	N3	153.273		C2	N4	H6	112.620

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/TZVP

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	-0.026
2	C	-0.026
3	N	-0.188
4	N	-0.188
5	H	0.214
6	H	0.214

	x	y	z
x	4.551	-2.395	0.000
y	-2.395	11.049	0.000
z	0.000	0.000	2.858

<r²>	80.359
(<r²>)^1/2	8.964