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	hartrees
Energy at 0K	-186.769796
Energy at 298.15K
HF Energy	-186.769796
Nuclear repulsion energy	89.807037

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	3436	3280	0.00	673.51	0.31	0.47
2	A_g	2238	2136	0.00	25.35	0.36	0.53
3	A_g	1172	1119	0.00	22.06	0.70	0.82
4	A_g	952	909	0.00	38.24	0.26	0.41
5	A_g	291	278	0.00	2.29	0.46	0.63
6	A_u	975	931	123.96	0.00	0.00	0.00
7	A_u	261	250	0.25	0.00	0.00	0.00
8	B_g	678	647	0.00	6.82	0.75	0.86
9	B_u	3436	3281	7.43	0.00	0.00	0.00
10	B_u	1791	1710	160.29	0.00	0.00	0.00
11	B_u	1149	1097	361.46	0.00	0.00	0.00
12	B_u	294	281	6.21	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.206	-0.611
C2	-0.206	0.611
N3	0.206	-1.852
N4	-0.206	1.852
H5	1.153	-2.241
H6	-1.153	2.241

	C1	C2	N3	N4	H5	H6
C1		1.2894	1.2406	2.4967	1.8848	3.1587
C2	1.2894		2.4967	1.2406	3.1587	1.8848
N3	1.2406	2.4967		3.7260	1.0237	4.3119
N4	2.4967	1.2406	3.7260		4.3119	1.0237
H5	1.8848	3.1587	1.0237	4.3119		5.0396
H6	3.1587	1.8848	4.3119	1.0237	5.0396

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.393		C1	N3	H5	112.343
C2	C1	N3	161.393		C2	N4	H6	112.343

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.214
2	C	0.214
3	N	-0.496
4	N	-0.496
5	H	0.282
6	H	0.282

	x	y	z
x	3.672	-1.994	0.000
y	-1.994	10.228	0.000
z	0.000	0.000	2.533

<r²>	79.840
(<r²>)^1/2	8.935