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	hartrees
Energy at 0K	-186.662344
Energy at 298.15K
HF Energy	-186.662344
Nuclear repulsion energy	89.110816

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	3281	3243	0.00	883.72	0.32	0.48
2	A_g	2061	2037	0.00	24.94	0.40	0.57
3	A_g	1136	1123	0.00	33.17	0.74	0.85
4	A_g	919	908	0.00	42.02	0.20	0.34
5	A_g	346	342	0.00	8.01	0.24	0.39
6	A_u	935	924	124.31	0.00	0.00	0.00
7	A_u	248	246	0.20	0.00	0.00	0.00
8	B_g	692	684	0.00	8.72	0.75	0.86
9	B_u	3280	3243	1.03	0.00	0.32	0.48
10	B_u	1715	1695	138.68	0.00	0.00	0.00
11	B_u	1089	1076	374.80	0.00	0.00	0.00
12	B_u	279	276	8.92	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.284	-0.590
C2	-0.284	0.590
N3	0.284	-1.841
N4	-0.284	1.841
H5	1.239	-2.239
H6	-1.239	2.239

	C1	C2	N3	N4	H5	H6
C1		1.3097	1.2512	2.4969	1.9052	3.2126
C2	1.3097		2.4969	1.2512	3.2126	1.9052
N3	1.2512	2.4969		3.7262	1.0342	4.3550
N4	2.4969	1.2512	3.7262		4.3550	1.0342
H5	1.9052	3.2126	1.0342	4.3550		5.1172
H6	3.2126	1.9052	4.3550	1.0342	5.1172

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.308		C1	N3	H5	112.600
C2	C1	N3	154.308		C2	N4	H6	112.600

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.046
2	C	-0.046
3	N	-0.171
4	N	-0.171
5	H	0.217
6	H	0.217

	x	y	z
x	4.517	-2.368	0.000
y	-2.368	11.122	0.000
z	0.000	0.000	2.846

<r²>	80.736
(<r²>)^1/2	8.985