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	hartrees
Energy at 0K	-186.702797
Energy at 298.15K
HF Energy	-186.473833
Nuclear repulsion energy	89.404242

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	3417	3417	0.00	729.57	0.32	0.48
2	A_g	2129	2129	0.00	20.99	0.38	0.55
3	A_g	1180	1180	0.00	25.75	0.74	0.85
4	A_g	925	925	0.00	34.79	0.25	0.40
5	A_g	296	296	0.00	4.59	0.29	0.45
6	A_u	964	964	128.57	0.00	0.00	0.00
7	A_u	253	253	0.01	0.00	0.00	0.00
8	B_g	687	687	0.00	7.77	0.75	0.86
9	B_u	3417	3417	7.64	0.00	0.27	0.42
10	B_u	1731	1731	127.20	0.00	0.00	0.00
11	B_u	1144	1144	409.08	0.00	0.00	0.00
12	B_u	283	283	6.80	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.252	-0.600
C2	-0.252	0.600
N3	0.252	-1.848
N4	-0.252	1.848
H5	1.202	-2.231
H6	-1.202	2.231

	C1	C2	N3	N4	H5	H6
C1		1.3007	1.2483	2.4988	1.8877	3.1818
C2	1.3007		2.4988	1.2483	3.1818	1.8877
N3	1.2483	2.4988		3.7300	1.0243	4.3300
N4	2.4988	1.2483	3.7300		4.3300	1.0243
H5	1.8877	3.1818	1.0243	4.3300		5.0679
H6	3.1818	1.8877	4.3300	1.0243	5.0679

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.233		C1	N3	H5	111.952
C2	C1	N3	157.233		C2	N4	H6	111.952

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULLultrafine/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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