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	hartrees
Energy at 0K	-186.691941
Energy at 298.15K
HF Energy	-186.466446
Nuclear repulsion energy	89.411218

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	3424	3424	0.00	729.79	0.32	0.49
2	A_g	2119	2119	0.00	20.70	0.39	0.56
3	A_g	1203	1203	0.00	27.67	0.74	0.85
4	A_g	925	925	0.00	34.73	0.25	0.39
5	A_g	315	315	0.00	4.95	0.28	0.44
6	A_u	973	973	141.64	0.00	0.00	0.00
7	A_u	256	256	0.03	0.00	0.00	0.00
8	B_g	699	699	0.00	8.35	0.75	0.86
9	B_u	3425	3425	2.15	0.00	0.32	0.48
10	B_u	1733	1733	124.14	0.00	0.00	0.00
11	B_u	1160	1160	447.77	0.00	0.00	0.00
12	B_u	285	285	7.53	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.262	-0.596
C2	-0.262	0.596
N3	0.262	-1.844
N4	-0.262	1.844
H5	1.207	-2.237
H6	-1.207	2.237

	C1	C2	N3	N4	H5	H6
C1		1.3025	1.2479	2.4962	1.8929	3.1909
C2	1.3025		2.4962	1.2479	3.1909	1.8929
N3	1.2479	2.4962		3.7256	1.0231	4.3370
N4	2.4962	1.2479	3.7256		4.3370	1.0231
H5	1.8929	3.1909	1.0231	4.3370		5.0826
H6	3.1909	1.8929	4.3370	1.0231	5.0826

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.312		C1	N3	H5	112.548
C2	C1	N3	156.312		C2	N4	H6	112.548

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULL/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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