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	hartrees
Energy at 0K	-32.203801
Energy at 298.15K
HF Energy	-32.203801
Nuclear repulsion energy	45.223371

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	3374	3271	0.00	787.75	0.32	0.49
2	A_g	2006	1945	0.00	43.29	0.36	0.53
3	A_g	1192	1156	0.00	30.29	0.75	0.85
4	A_g	904	876	0.00	36.96	0.18	0.31
5	A_g	354	343	0.00	8.08	0.36	0.53
6	A_u	944	916	137.73	0.00	0.00	0.00
7	A_u	249	241	0.18	0.00	0.00	0.00
8	B_g	718	696	0.00	12.95	0.75	0.86
9	B_u	3375	3271	0.80	0.00	0.00	0.00
10	B_u	1714	1662	169.07	0.00	0.00	0.00
11	B_u	1143	1108	455.21	0.00	0.00	0.00
12	B_u	280	271	9.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.326	-0.580
C2	-0.326	0.580
N3	0.326	-1.836
N4	-0.326	1.836
H5	1.284	-2.215
H6	-1.284	2.215

	C1	C2	N3	N4	H5	H6
C1		1.3309	1.2557	2.5026	1.8947	3.2254
C2	1.3309		2.5026	1.2557	3.2254	1.8947
N3	1.2557	2.5026		3.7295	1.0304	4.3589
N4	2.5026	1.2557	3.7295		4.3589	1.0304
H5	1.8947	3.2254	1.0304	4.3589		5.1200
H6	3.2254	1.8947	4.3589	1.0304	5.1200

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	150.710		C1	N3	H5	111.564
C2	C1	N3	150.710		C2	N4	H6	111.564

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/CEP-121G*

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	-0.124
2	C	-0.124
3	N	-0.197
4	N	-0.197
5	H	0.321
6	H	0.321

	x	y	z
x	4.532	-2.624	0.000
y	-2.624	10.594	0.000
z	0.000	0.000	2.651

<r²>	65.152
(<r²>)^1/2	8.072