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	hartrees
Energy at 0K	-186.803319
Energy at 298.15K
HF Energy	-186.803319
Nuclear repulsion energy	89.860995

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	3429	3281	0.00	740.30	0.31	0.48
2	A_g	2225	2128	0.00	28.09	0.38	0.55
3	A_g	1181	1130	0.00	22.09	0.75	0.86
4	A_g	947	906	0.00	36.82	0.27	0.42
5	A_g	286	274	0.00	4.33	0.43	0.60
6	A_u	975	933	134.59	0.00	0.00	0.00
7	A_u	257	246	0.00	0.00	0.00	0.00
8	B_g	679	650	0.00	7.45	0.75	0.86
9	B_u	3430	3281	7.90	0.00	0.00	0.00
10	B_u	1784	1706	173.89	0.00	0.00	0.00
11	B_u	1154	1104	374.15	0.00	0.00	0.00
12	B_u	288	276	7.93	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.213	-0.609
C2	-0.213	0.609
N3	0.213	-1.849
N4	-0.213	1.849
H5	1.160	-2.235
H6	-1.160	2.235

	C1	C2	N3	N4	H5	H6
C1		1.2904	1.2395	2.4943	1.8821	3.1585
C2	1.2904		2.4943	1.2395	3.1585	1.8821
N3	1.2395	2.4943		3.7217	1.0234	4.3086
N4	2.4943	1.2395	3.7217		4.3086	1.0234
H5	1.8821	3.1585	1.0234	4.3086		5.0370
H6	3.1585	1.8821	4.3086	1.0234	5.0370

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.756		C1	N3	H5	112.205
C2	C1	N3	160.756		C2	N4	H6	112.205

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/6-311G**

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	0.169
2	C	0.169
3	N	-0.382
4	N	-0.382
5	H	0.213
6	H	0.213

	x	y	z
x	3.635	-2.012	0.000
y	-2.012	10.317	0.000
z	0.000	0.000	2.365

<r²>	79.913
(<r²>)^1/2	8.939