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	hartrees
Energy at 0K	-186.747431
Energy at 298.15K
HF Energy	-186.495650
Nuclear repulsion energy	89.672645

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	3413	3262	0.00	746.45	0.30	0.46
2	A_g	2151	2056	0.00	20.45	0.39	0.56
3	A_g	1178	1126	0.00	23.03	0.66	0.80
4	A_g	930	889	0.00	38.39	0.22	0.36
5	A_g	295	282	0.00	2.90	0.46	0.63
6	A_u	965	923	120.96	0.00	0.00	0.00
7	A_u	256	245	0.00	0.00	0.00	0.00
8	B_g	678	648	0.00	4.81	0.75	0.86
9	B_u	3414	3263	9.49	0.00	0.30	0.46
10	B_u	1734	1657	134.31	0.00	0.00	0.00
11	B_u	1145	1094	404.81	0.00	0.00	0.00
12	B_u	286	274	6.16	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.231	-0.604
C2	-0.231	0.604
N3	0.231	-1.848
N4	-0.231	1.848
H5	1.175	-2.239
H6	-1.175	2.239

	C1	C2	N3	N4	H5	H6
C1		1.2928	1.2443	2.4948	1.8883	3.1716
C2	1.2928		2.4948	1.2443	3.1716	1.8883
N3	1.2443	2.4948		3.7247	1.0217	4.3223
N4	2.4948	1.2443	3.7247		4.3223	1.0217
H5	1.8883	3.1716	1.0217	4.3223		5.0575
H6	3.1716	1.8883	4.3223	1.0217	5.0575

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	159.040		C1	N3	H5	112.513
C2	C1	N3	159.040		C2	N4	H6	112.513

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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