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	hartrees
Energy at 0K	-186.806036
Energy at 298.15K
HF Energy	-186.806036
Nuclear repulsion energy	89.253923

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	3358	3224	0.00	771.99	0.32	0.48
2	A_g	2152	2067	0.00	25.64	0.39	0.56
3	A_g	1202	1154	0.00	31.44	0.74	0.85
4	A_g	944	907	0.00	36.03	0.28	0.44
5	A_g	331	318	0.00	3.67	0.33	0.50
6	A_u	964	925	134.75	0.00	0.00	0.00
7	A_u	255	245	0.08	0.00	0.00	0.00
8	B_g	691	663	0.00	13.39	0.75	0.86
9	B_u	3358	3225	2.98	0.00	0.00	0.00
10	B_u	1768	1698	150.95	0.00	0.00	0.00
11	B_u	1160	1114	401.03	0.00	0.00	0.00
12	B_u	283	272	5.89	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.264	-0.597
C2	-0.264	0.597
N3	0.264	-1.846
N4	-0.264	1.846
H5	1.217	-2.235
H6	-1.217	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3055	1.2492	2.4997	1.8952	3.1959
C2	1.3055		2.4997	1.2492	3.1959	1.8952
N3	1.2492	2.4997		3.7301	1.0294	4.3417
N4	2.4997	1.2492	3.7301		4.3417	1.0294
H5	1.8952	3.1959	1.0294	4.3417		5.0899
H6	3.1959	1.8952	4.3417	1.0294	5.0899

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.160		C1	N3	H5	112.191
C2	C1	N3	156.160		C2	N4	H6	112.191

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/6-31G*

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	0.244
2	C	0.244
3	N	-0.571
4	N	-0.571
5	H	0.327
6	H	0.327

	x	y	z
x	3.664	-2.369	0.000
y	-2.369	10.075	0.000
z	0.000	0.000	1.999

<r²>	80.375
(<r²>)^1/2	8.965