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	hartrees
Energy at 0K	-186.663109
Energy at 298.15K
HF Energy	-186.454363
Nuclear repulsion energy	88.850262

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	3412	3283	0.00	673.70	0.30	0.46
2	A_g	2074	1996	0.00	27.76	0.36	0.53
3	A_g	1169	1125	0.00	33.53	0.53	0.70
4	A_g	919	884	0.00	50.57	0.15	0.26
5	A_g	329	317	0.00	2.92	0.43	0.60
6	A_u	945	909	117.02	0.00	0.00	0.00
7	A_u	247	238	0.02	0.00	0.00	0.00
8	B_g	693	666	0.00	3.87	0.75	0.86
9	B_u	3412	3284	19.22	0.00	0.31	0.47
10	B_u	1719	1655	156.20	0.00	0.00	0.00
11	B_u	1125	1083	410.53	0.00	0.00	0.00
12	B_u	276	266	6.65	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.291	-0.592
C2	-0.291	0.592
N3	0.291	-1.847
N4	-0.291	1.847
H5	1.243	-2.236
H6	-1.243	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3188	1.2552	2.5071	1.8994	3.2165
C2	1.3188		2.5071	1.2552	3.2165	1.8994
N3	1.2552	2.5071		3.7393	1.0278	4.3611
N4	2.5071	1.2552	3.7393		4.3611	1.0278
H5	1.8994	3.2165	1.0278	4.3611		5.1155
H6	3.2165	1.8994	4.3611	1.0278	5.1155

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.796		C1	N3	H5	112.226
C2	C1	N3	153.796		C2	N4	H6	112.226

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULLultrafine/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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