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	hartrees
Energy at 0K	-186.676740
Energy at 298.15K
HF Energy	-186.676740
Nuclear repulsion energy	89.946220

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	3423	3293	0.00	724.37	0.30	0.46
2	A_g	2203	2119	0.00	26.47	0.41	0.58
3	A_g	1170	1125	0.00	28.77	0.49	0.66
4	A_g	947	910	0.00	51.39	0.16	0.27
5	A_g	309	297	0.00	2.78	0.56	0.72
6	A_u	967	930	120.06	0.00	0.00	0.00
7	A_u	256	246	0.01	0.00	0.00	0.00
8	B_g	675	649	0.00	3.33	0.75	0.86
9	B_u	3424	3293	14.47	0.00	0.00	0.00
10	B_u	1777	1710	192.74	0.00	0.00	0.00
11	B_u	1142	1098	360.51	0.00	0.00	0.00
12	B_u	286	275	6.65	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.215	-0.608
C2	-0.215	0.608
N3	0.215	-1.846
N4	-0.215	1.846
H5	1.156	-2.245
H6	-1.156	2.245

	C1	C2	N3	N4	H5	H6
C1		1.2901	1.2376	2.4912	1.8878	3.1652
C2	1.2901		2.4912	1.2376	3.1652	1.8878
N3	1.2376	2.4912		3.7163	1.0221	4.3140
N4	2.4912	1.2376	3.7163		4.3140	1.0221
H5	1.8878	3.1652	1.0221	4.3140		5.0498
H6	3.1652	1.8878	4.3140	1.0221	5.0498

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.506		C1	N3	H5	112.974
C2	C1	N3	160.506		C2	N4	H6	112.974

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HSEh1PBE/aug-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	0.210
2	C	0.210
3	N	-0.363
4	N	-0.363
5	H	0.153
6	H	0.153

	x	y	z
x	4.809	-1.840	0.000
y	-1.840	11.510	0.000
z	0.000	0.000	3.741

<r²>	80.088
(<r²>)^1/2	8.949