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	hartrees
Energy at 0K	-186.728729
Energy at 298.15K
HF Energy	-186.728729
Nuclear repulsion energy	89.341140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3390	3244	0.00
2	A_g	2171	2077	0.00
3	A_g	1197	1145	0.00
4	A_g	949	908	0.00
5	A_g	332	318	0.00
6	A_u	966	924	141.33
7	A_u	255	244	0.04
8	B_g	693	663	0.00
9	B_u	3391	3244	2.19
10	B_u	1783	1705	156.55
11	B_u	1153	1104	406.99
12	B_u	285	273	6.57

Atom	x (Å)	y (Å)
C1	0.263	-0.597
C2	-0.263	0.597
N3	0.263	-1.845
N4	-0.263	1.845
H5	1.215	-2.232
H6	-1.215	2.232

	C1	C2	N3	N4	H5	H6
C1		1.3052	1.2476	2.4981	1.8919	3.1922
C2	1.3052		2.4981	1.2476	3.1922	1.8919
N3	1.2476	2.4981		3.7271	1.0279	4.3367
N4	2.4981	1.2476	3.7271		4.3367	1.0279
H5	1.8919	3.1922	1.0279	4.3367		5.0829
H6	3.1922	1.8919	4.3367	1.0279	5.0829

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.241		C1	N3	H5	112.135
C2	C1	N3	156.241		C2	N4	H6	112.135

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3PW91/6-31G*

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	0.249
2	C	0.249
3	N	-0.592
4	N	-0.592
5	H	0.343
6	H	0.343

	x	y	z
x	3.633	-2.311	0.000
y	-2.311	10.045	0.000
z	0.000	0.000	2.008

<r²>	80.189
(<r²>)^1/2	8.955