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	hartrees
Energy at 0K	-186.711344
Energy at 298.15K
HF Energy	-186.711344
Nuclear repulsion energy	88.614238

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	3264	3236	0.00	888.58	0.31	0.48
2	A_g	2023	2006	0.00	23.22	0.34	0.51
3	A_g	1164	1154	0.00	28.60	0.73	0.84
4	A_g	913	905	0.00	31.23	0.24	0.39
5	A_g	342	339	0.00	3.99	0.47	0.64
6	A_u	923	915	105.37	0.00	0.00	0.00
7	A_u	244	242	0.20	0.00	0.00	0.00
8	B_g	698	692	0.00	11.18	0.75	0.86
9	B_u	3264	3236	4.40	0.00	0.31	0.48
10	B_u	1716	1701	125.40	0.00	0.00	0.00
11	B_u	1114	1104	388.43	0.00	0.00	0.00
12	B_u	281	279	7.30	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.324	-0.580
C2	-0.324	0.580
N3	0.324	-1.838
N4	-0.324	1.838
H5	1.292	-2.214
H6	-1.292	2.214

	C1	C2	N3	N4	H5	H6
C1		1.3288	1.2582	2.5035	1.8992	3.2277
C2	1.3288		2.5035	1.2582	3.2277	1.8992
N3	1.2582	2.5035		3.7330	1.0383	4.3626
N4	2.5035	1.2582	3.7330		4.3626	1.0383
H5	1.8992	3.2277	1.0383	4.3626		5.1268
H6	3.2277	1.8992	4.3626	1.0383	5.1268

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	150.788		C1	N3	H5	111.220
C2	C1	N3	150.788		C2	N4	H6	111.220

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/cc-pVDZ

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	-0.004
2	C	-0.004
3	N	-0.122
4	N	-0.122
5	H	0.126
6	H	0.126

	x	y	z
x	4.168	-2.622	0.000
y	-2.622	10.022	0.000
z	0.000	0.000	2.288

<r²>	80.640
(<r²>)^1/2	8.980