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	hartrees
Energy at 0K	-186.517527
Energy at 298.15K	-186.512114
HF Energy	-185.673976
Nuclear repulsion energy	90.550113

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	3677	3677	0.00	634.76	0.32	0.48
2	A_g	2455	2455	0.00	77.21	0.35	0.51
3	A_g	1287	1287	0.00	15.43	0.74	0.85
4	A_g	1007	1007	0.00	48.47	0.30	0.46
5	A_g	299	299	0.00	5.70	0.62	0.77
6	A_u	1059	1059	177.42	0.00	0.00	0.00
7	A_u	277	277	1.33	0.00	0.00	0.00
8	B_g	693	693	0.00	14.51	0.75	0.86
9	B_u	3679	3679	14.42	0.00	0.00	0.00
10	B_u	1907	1907	329.15	0.00	0.00	0.00
11	B_u	1279	1279	385.44	0.00	0.00	0.00
12	B_u	316	316	12.68	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.138	-0.625
C2	-0.138	0.625
N3	0.138	-1.853
N4	-0.138	1.853
H5	1.068	-2.240
H6	-1.068	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2809	1.2271	2.4933	1.8630	3.1085
C2	1.2809		2.4933	1.2271	3.1085	1.8630
N3	1.2271	2.4933		3.7154	1.0076	4.2661
N4	2.4933	1.2271	3.7154		4.2661	1.0076
H5	1.8630	3.1085	1.0076	4.2661		4.9625
H6	3.1085	1.8630	4.2661	1.0076	4.9625

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	167.569		C1	N3	H5	112.585
C2	C1	N3	167.569		C2	N4	H6	112.585

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CBS-Q

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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