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	hartrees
Energy at 0K	-184.367541
Energy at 298.15K
HF Energy	-184.367541
Nuclear repulsion energy	87.006284

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	3385	3021	0.00	450.53	0.32	0.48
2	A_g	2106	1880	0.00	25.22	0.33	0.50
3	A_g	1253	1118	0.00	38.33	0.73	0.85
4	A_g	945	843	0.00	26.30	0.24	0.38
5	A_g	327	292	0.00	0.97	0.26	0.41
6	A_u	947	845	84.91	0.00	0.00	0.00
7	A_u	239	213	0.07	0.00	0.00	0.00
8	B_g	700	625	0.00	17.79	0.75	0.86
9	B_u	3383	3019	11.42	0.00	0.00	0.00
10	B_u	1739	1552	15.28	0.00	0.00	0.00
11	B_u	1215	1084	290.68	0.00	0.00	0.00
12	B_u	290	259	3.67	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.325	-0.576
C2	-0.325	0.576
N3	0.325	-1.870
N4	-0.325	1.870
H5	1.350	-2.213
H6	-1.350	2.213

	C1	C2	N3	N4	H5	H6
C1		1.3220	1.2948	2.5309	1.9317	3.2529
C2	1.3220		2.5309	1.2948	3.2529	1.9317
N3	1.2948	2.5309		3.7969	1.0810	4.4134
N4	2.5309	1.2948	3.7969		4.4134	1.0810
H5	1.9317	3.2529	1.0810	4.4134		5.1844
H6	3.2529	1.9317	4.4134	1.0810	5.1844

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	150.550		C1	N3	H5	108.458
C2	C1	N3	150.550		C2	N4	H6	108.458

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/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	0.055
2	C	0.055
3	N	-0.244
4	N	-0.244
5	H	0.189
6	H	0.189

	x	y	z
x	2.455	-2.574	0.000
y	-2.574	7.363	0.000
z	0.000	0.000	0.798

<r²>	81.834
(<r²>)^1/2	9.046