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	hartrees
Energy at 0K	-186.767165
Energy at 298.15K
HF Energy	-186.767165
Nuclear repulsion energy	89.501584

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	3461	3294	0.00	631.54	0.33	0.50
2	A_g	2180	2075	0.00	44.37	0.36	0.53
3	A_g	1175	1119	0.00	28.51	0.74	0.85
4	A_g	951	905	0.00	49.60	0.19	0.32
5	A_g	340	324	0.00	8.21	0.26	0.41
6	A_u	966	920	142.57	0.00	0.00	0.00
7	A_u	257	245	0.01	0.00	0.00	0.00
8	B_g	707	673	0.00	6.28	0.75	0.86
9	B_u	3462	3295	14.98	0.00	0.00	0.00
10	B_u	1792	1706	206.63	0.00	0.00	0.00
11	B_u	1134	1079	376.83	0.00	0.00	0.00
12	B_u	282	269	8.36	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.260	-0.598
C2	-0.260	0.598
N3	0.260	-1.843
N4	-0.260	1.843
H5	1.206	-2.234
H6	-1.206	2.234

	C1	C2	N3	N4	H5	H6
C1		1.3049	1.2444	2.4959	1.8894	3.1892
C2	1.3049		2.4959	1.2444	3.1892	1.8894
N3	1.2444	2.4959		3.7220	1.0235	4.3323
N4	2.4959	1.2444	3.7220		4.3323	1.0235
H5	1.8894	3.1892	1.0235	4.3323		5.0773
H6	3.1892	1.8894	4.3323	1.0235	5.0773

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.511		C1	N3	H5	112.472
C2	C1	N3	156.511		C2	N4	H6	112.472

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/6-31+G**

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	0.134
2	C	0.134
3	N	-0.432
4	N	-0.432
5	H	0.297
6	H	0.297

	x	y	z
x	4.307	-2.082	0.000
y	-2.082	11.133	0.000
z	0.000	0.000	2.948

<r²>	80.483
(<r²>)^1/2	8.971