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	hartrees
Energy at 0K	-186.716834
Energy at 298.15K
HF Energy	-186.489370
Nuclear repulsion energy	89.590889

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	3416	3259	0.00	734.26	0.32	0.48
2	A_g	2108	2011	0.00	25.84	0.41	0.58
3	A_g	1170	1117	0.00	29.72	0.74	0.85
4	A_g	931	888	0.00	42.57	0.20	0.33
5	A_g	352	336	0.00	9.62	0.18	0.30
6	A_u	964	920	131.60	0.00	0.00	0.00
7	A_u	252	240	0.05	0.00	0.00	0.00
8	B_g	699	667	0.00	8.47	0.75	0.86
9	B_u	3416	3260	10.89	0.00	0.39	0.57
10	B_u	1734	1655	147.47	0.00	0.00	0.00
11	B_u	1125	1074	413.10	0.00	0.00	0.00
12	B_u	284	271	8.67	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.269	-0.592
C2	-0.269	0.592
N3	0.269	-1.838
N4	-0.269	1.838
H5	1.214	-2.230
H6	-1.214	2.230

	C1	C2	N3	N4	H5	H6
C1		1.3008	1.2453	2.4886	1.8907	3.1879
C2	1.3008		2.4886	1.2453	3.1879	1.8907
N3	1.2453	2.4886		3.7142	1.0230	4.3293
N4	2.4886	1.2453	3.7142		4.3293	1.0230
H5	1.8907	3.1879	1.0230	4.3293		5.0777
H6	3.1879	1.8907	4.3293	1.0230	5.0777

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.580		C1	N3	H5	112.558
C2	C1	N3	155.580		C2	N4	H6	112.558

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULL/TZVP

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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