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	hartrees
Energy at 0K	-186.535066
Energy at 298.15K
HF Energy	-185.742865
Nuclear repulsion energy	89.460529

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	3460	3262	0.00	539.32	0.30	0.46
2	A_g	2130	2008	0.00	4.22	0.73	0.85
3	A_g	1148	1082	0.00	39.97	0.51	0.68
4	A_g	922	869	0.00	36.22	0.13	0.24
5	A_g	303	286	0.00	3.24	0.34	0.51
6	A_u	957	903	115.50	0.00	0.00	0.00
7	A_u	249	235	0.00	0.00	0.00	0.00
8	B_g	677	638	0.00	1.34	0.75	0.86
9	B_u	3461	3263	36.66	0.00	0.30	0.46
10	B_u	1717	1618	114.46	0.00	0.00	0.00
11	B_u	1113	1050	382.03	0.00	0.00	0.00
12	B_u	282	266	6.50	0.00	0.35	0.52

Atom	x (Å)	y (Å)
C1	0.243	-0.601
C2	-0.243	0.601
N3	0.243	-1.849
N4	-0.243	1.849
H5	1.188	-2.238
H6	-1.188	2.238

	C1	C2	N3	N4	H5	H6
C1		1.2969	1.2483	2.4983	1.8904	3.1798
C2	1.2969		2.4983	1.2483	3.1798	1.8904
N3	1.2483	2.4983		3.7307	1.0219	4.3311
N4	2.4983	1.2483	3.7307		4.3311	1.0219
H5	1.8904	3.1798	1.0219	4.3311		5.0683
H6	3.1798	1.8904	4.3311	1.0219	5.0683

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.955		C1	N3	H5	112.362
C2	C1	N3	157.955		C2	N4	H6	112.362

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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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