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	hartrees
Energy at 0K	-186.306036
Energy at 298.15K
HF Energy	-185.700211
Nuclear repulsion energy	88.207256

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	3418	3278	0.00	553.66	0.28	0.44
2	A_g	2011	1929	0.00	5.15	0.69	0.81
3	A_g	1147	1100	0.00	42.53	0.51	0.68
4	A_g	906	869	0.00	36.80	0.12	0.22
5	A_g	353	339	0.00	2.32	0.30	0.46
6	A_u	934	896	113.34	0.00	0.75	0.86
7	A_u	240	230	0.05	0.00	0.75	0.86
8	B_g	702	673	0.00	1.85	0.75	0.86
9	B_u	3418	3278	33.76	0.00	0.28	0.44
10	B_u	1682	1613	107.14	0.00	0.00	0.00
11	B_u	1095	1051	408.85	0.00	0.34	0.50
12	B_u	276	265	7.15	0.00	0.36	0.53

Atom	x (Å)	y (Å)
C1	0.324	-0.583
C2	-0.324	0.583
N3	0.324	-1.850
N4	-0.324	1.850
H5	1.285	-2.223
H6	-1.285	2.223

	C1	C2	N3	N4	H5	H6
C1		1.3344	1.2666	2.5181	1.9007	3.2349
C2	1.3344		2.5181	1.2666	3.2349	1.9007
N3	1.2666	2.5181		3.7563	1.0316	4.3792
N4	2.5181	1.2666	3.7563		4.3792	1.0316
H5	1.9007	3.2349	1.0316	4.3792		5.1355
H6	3.2349	1.9007	4.3792	1.0316	5.1355

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	150.984		C1	N3	H5	111.184
C2	C1	N3	150.984		C2	N4	H6	111.184

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/aug-cc-pVDZ

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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