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	hartrees
Energy at 0K	-186.883022
Energy at 298.15K
HF Energy	-186.883022
Nuclear repulsion energy	89.801678

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	3377	3264	0.00	830.27	0.30	0.47
2	A_g	2165	2093	0.00	25.71	0.41	0.58
3	A_g	1182	1142	0.00	22.13	0.67	0.81
4	A_g	937	906	0.00	38.87	0.22	0.36
5	A_g	299	289	0.00	2.79	0.55	0.71
6	A_u	966	933	122.18	0.00	0.00	0.00
7	A_u	255	246	0.01	0.00	0.00	0.00
8	B_g	675	652	0.00	5.71	0.75	0.86
9	B_u	3377	3265	4.52	0.00	0.00	0.00
10	B_u	1754	1696	165.85	0.00	0.00	0.00
11	B_u	1148	1110	395.19	0.00	0.00	0.00
12	B_u	285	276	5.84	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.227	-0.605
C2	-0.227	0.605
N3	0.227	-1.845
N4	-0.227	1.845
H5	1.169	-2.245
H6	-1.169	2.245

	C1	C2	N3	N4	H5	H6
C1		1.2922	1.2404	2.4921	1.8916	3.1737
C2	1.2922		2.4921	1.2404	3.1737	1.8916
N3	1.2404	2.4921		3.7186	1.0238	4.3222
N4	2.4921	1.2404	3.7186		4.3222	1.0238
H5	1.8916	3.1737	1.0238	4.3222		5.0627
H6	3.1737	1.8916	4.3222	1.0238	5.0627

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	159.465		C1	N3	H5	112.983
C2	C1	N3	159.465		C2	N4	H6	112.983

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYPultrafine/cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.018
2	C	-0.018
3	N	-0.152
4	N	-0.152
5	H	0.170
6	H	0.170

	x	y	z
x	4.226	-2.084	0.000
y	-2.084	10.802	0.000
z	0.000	0.000	2.989

<r²>	80.133
(<r²>)^1/2	8.952