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	hartrees
Energy at 0K	-186.780226
Energy at 298.15K
HF Energy	-186.780226
Nuclear repulsion energy	89.936670

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	3426	3289	0.00	746.47	0.31	0.48
2	A_g	2228	2139	0.00	27.35	0.39	0.56
3	A_g	1179	1132	0.00	22.02	0.75	0.85
4	A_g	947	909	0.00	36.71	0.27	0.43
5	A_g	285	273	0.00	4.09	0.42	0.59
6	A_u	975	936	133.33	0.00	0.00	0.00
7	A_u	256	246	0.01	0.00	0.00	0.00
8	B_g	677	650	0.00	7.39	0.75	0.86
9	B_u	3426	3290	7.67	0.00	0.00	0.00
10	B_u	1785	1714	173.49	0.00	0.00	0.00
11	B_u	1152	1106	368.43	0.00	0.00	0.00
12	B_u	288	276	7.93	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.212	-0.609
C2	-0.212	0.609
N3	0.212	-1.847
N4	-0.212	1.847
H5	1.160	-2.232
H6	-1.160	2.232

	C1	C2	N3	N4	H5	H6
C1		1.2894	1.2384	2.4924	1.8797	3.1550
C2	1.2894		2.4924	1.2384	3.1550	1.8797
N3	1.2384	2.4924		3.7187	1.0227	4.3040
N4	2.4924	1.2384	3.7187		4.3040	1.0227
H5	1.8797	3.1550	1.0227	4.3040		5.0311
H6	3.1550	1.8797	4.3040	1.0227	5.0311

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.782		C1	N3	H5	112.119
C2	C1	N3	160.782		C2	N4	H6	112.119

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B1B95/6-311G**

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	0.156
2	C	0.156
3	N	-0.369
4	N	-0.369
5	H	0.214
6	H	0.214

	x	y	z
x	3.623	-2.011	0.000
y	-2.011	10.253	0.000
z	0.000	0.000	2.350

<r²>	79.776
(<r²>)^1/2	8.932