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	hartrees
Energy at 0K	-185.034920
Energy at 298.15K
HF Energy	-184.623245
Nuclear repulsion energy	88.391696

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	3241	3073	0.00	779.73	0.31	0.48
2	A_g	2137	2026	0.00	27.55	0.37	0.54
3	A_g	1190	1128	0.00	56.87	0.74	0.85
4	A_g	906	859	0.00	12.28	0.24	0.39
5	A_g	309	292	0.00	2.89	0.31	0.47
6	A_u	980	929	139.16	0.00	0.75	0.86
7	A_u	276	262	0.36	0.00	0.75	0.86
8	B_g	734	696	0.00	5.12	0.75	0.86
9	B_u	3245	3076	2.55	0.00	0.31	0.48
10	B_u	1678	1591	34.62	0.00	0.00	0.00
11	B_u	1118	1060	573.12	0.00	0.00	0.00
12	B_u	284	270	9.84	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.225	-0.609
C2	-0.225	0.609
N3	0.225	-1.875
N4	-0.225	1.875
H5	1.169	-2.312
H6	-1.169	2.312

	C1	C2	N3	N4	H5	H6
C1		1.2981	1.2659	2.5241	1.9472	3.2362
C2	1.2981		2.5241	1.2659	3.2362	1.9472
N3	1.2659	2.5241		3.7764	1.0406	4.4125
N4	2.5241	1.2659	3.7764		4.4125	1.0406
H5	1.9472	3.2362	1.0406	4.4125		5.1811
H6	3.2362	1.9472	4.4125	1.0406	5.1811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	159.755		C1	N3	H5	114.832
C2	C1	N3	159.755		C2	N4	H6	114.832

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=FULL/3-21G*

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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