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	hartrees
Energy at 0K	-186.600560
Energy at 298.15K
HF Energy	-186.600560
Nuclear repulsion energy	89.445100

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	3454	3300	0.00	636.05	0.33	0.50
2	A_g	2181	2084	0.00	43.65	0.36	0.53
3	A_g	1172	1120	0.00	29.23	0.74	0.85
4	A_g	951	908	0.00	50.15	0.19	0.32
5	A_g	340	325	0.00	8.07	0.26	0.41
6	A_u	965	922	142.22	0.00	0.00	0.00
7	A_u	257	246	0.01	0.00	0.00	0.00
8	B_g	706	675	0.00	6.19	0.75	0.86
9	B_u	3455	3300	15.31	0.00	0.00	0.00
10	B_u	1793	1713	205.64	0.00	0.00	0.00
11	B_u	1131	1080	373.02	0.00	0.00	0.00
12	B_u	283	270	8.47	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.260	-0.599
C2	-0.260	0.599
N3	0.260	-1.844
N4	-0.260	1.844
H5	1.207	-2.234
H6	-1.207	2.234

	C1	C2	N3	N4	H5	H6
C1		1.3058	1.2450	2.4975	1.8902	3.1909
C2	1.3058		2.4975	1.2450	3.1909	1.8902
N3	1.2450	2.4975		3.7243	1.0248	4.3344
N4	2.4975	1.2450	3.7243		4.3344	1.0248
H5	1.8902	3.1909	1.0248	4.3344		5.0797
H6	3.1909	1.8902	4.3344	1.0248	5.0797

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.525		C1	N3	H5	112.406
C2	C1	N3	156.525		C2	N4	H6	112.406

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/6-31+G**

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	0.139
2	C	0.139
3	N	-0.436
4	N	-0.436
5	H	0.297
6	H	0.297

	x	y	z
x	4.320	-2.091	0.000
y	-2.091	11.149	0.000
z	0.000	0.000	2.955

<r²>	80.585
(<r²>)^1/2	8.977