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	hartrees
Energy at 0K	-186.697355
Energy at 298.15K
HF Energy	-186.489305
Nuclear repulsion energy	89.571660

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	3416	3260	0.00	733.37	0.32	0.48
2	A_g	2104	2009	0.00	26.04	0.41	0.58
3	A_g	1171	1117	0.00	29.74	0.74	0.85
4	A_g	930	888	0.00	42.55	0.20	0.33
5	A_g	353	337	0.00	9.62	0.18	0.30
6	A_u	963	919	131.47	0.00	0.00	0.00
7	A_u	252	240	0.06	0.00	0.00	0.00
8	B_g	699	667	0.00	8.55	0.75	0.86
9	B_u	3417	3261	10.97	0.00	0.44	0.00
10	B_u	1734	1655	147.37	0.00	0.00	0.00
11	B_u	1125	1074	414.18	0.00	0.00	0.00
12	B_u	284	271	8.69	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.271	-0.592
C2	-0.271	0.592
N3	0.271	-1.837
N4	-0.271	1.837
H5	1.216	-2.229
H6	-1.216	2.229

	C1	C2	N3	N4	H5	H6
C1		1.3016	1.2456	2.4887	1.8908	3.1890
C2	1.3016		2.4887	1.2456	3.1890	1.8908
N3	1.2456	2.4887		3.7143	1.0231	4.3300
N4	2.4887	1.2456	3.7143		4.3300	1.0231
H5	1.8908	3.1890	1.0231	4.3300		5.0789
H6	3.1890	1.8908	4.3300	1.0231	5.0789

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.402		C1	N3	H5	112.540
C2	C1	N3	155.402		C2	N4	H6	112.540

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/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	-0.016
2	C	-0.016
3	N	-0.197
4	N	-0.197
5	H	0.213
6	H	0.213

	x	y	z
x	4.330	-2.243	0.000
y	-2.243	10.902	0.000
z	0.000	0.000	2.814

<r²>	80.325
(<r²>)^1/2	8.962