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	hartrees
Energy at 0K	-186.632252
Energy at 298.15K
HF Energy	-186.428187
Nuclear repulsion energy	89.124334

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	3437	3437	0.00	710.52	0.31	0.48
2	A_g	2111	2111	0.00	20.67	0.36	0.53
3	A_g	1187	1187	0.00	30.15	0.74	0.85
4	A_g	935	935	0.00	35.02	0.27	0.43
5	A_g	331	331	0.00	4.17	0.24	0.38
6	A_u	961	961	133.97	0.00	0.00	0.00
7	A_u	252	252	0.02	0.00	0.00	0.00
8	B_g	702	702	0.00	12.73	0.75	0.86
9	B_u	3438	3438	2.20	0.00	0.31	0.48
10	B_u	1750	1750	124.49	0.00	0.00	0.00
11	B_u	1139	1139	431.18	0.00	0.00	0.00
12	B_u	283	283	5.98	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.287	-0.590
C2	-0.287	0.590
N3	0.287	-1.842
N4	-0.287	1.842
H5	1.238	-2.226
H6	-1.238	2.226

	C1	C2	N3	N4	H5	H6
C1		1.3116	1.2527	2.4989	1.8921	3.2016
C2	1.3116		2.4989	1.2527	3.2016	1.8921
N3	1.2527	2.4989		3.7293	1.0251	4.3444
N4	2.4989	1.2527	3.7293		4.3444	1.0251
H5	1.8921	3.2016	1.0251	4.3444		5.0932
H6	3.2016	1.8921	4.3444	1.0251	5.0932

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.049		C1	N3	H5	111.948
C2	C1	N3	154.049		C2	N4	H6	111.948

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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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