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	hartrees
Energy at 0K	-186.662986
Energy at 298.15K
HF Energy	-186.662986
Nuclear repulsion energy	89.918828

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	3429	3429	0.00	729.91	0.30	0.47
2	A_g	2208	2208	0.00	27.97	0.41	0.58
3	A_g	1172	1172	0.00	22.03	0.68	0.81
4	A_g	947	947	0.00	44.24	0.20	0.33
5	A_g	299	299	0.00	4.48	0.41	0.58
6	A_u	970	970	124.98	0.00	0.00	0.00
7	A_u	255	255	0.02	0.00	0.00	0.00
8	B_g	674	674	0.00	5.27	0.75	0.86
9	B_u	3430	3430	12.09	0.00	0.00	0.00
10	B_u	1781	1781	184.80	0.00	0.00	0.00
11	B_u	1143	1143	371.47	0.00	0.00	0.00
12	B_u	286	286	7.18	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.215	-0.609
C2	-0.215	0.609
N3	0.215	-1.847
N4	-0.215	1.847
H5	1.158	-2.242
H6	-1.158	2.242

	C1	C2	N3	N4	H5	H6
C1		1.2910	1.2378	2.4925	1.8857	3.1636
C2	1.2910		2.4925	1.2378	3.1636	1.8857
N3	1.2378	2.4925		3.7179	1.0225	4.3124
N4	2.4925	1.2378	3.7179		4.3124	1.0225
H5	1.8857	3.1636	1.0225	4.3124		5.0460
H6	3.1636	1.8857	4.3124	1.0225	5.0460

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.566		C1	N3	H5	112.730
C2	C1	N3	160.566		C2	N4	H6	112.730

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/Def2TZVPP

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	0.014
2	C	0.014
3	N	-0.214
4	N	-0.214
5	H	0.200
6	H	0.200

	x	y	z
x	4.306	-1.936	0.000
y	-1.936	11.021	0.000
z	0.000	0.000	3.137

<r²>	80.015
(<r²>)^1/2	8.945