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	hartrees
Energy at 0K	-185.694299
Energy at 298.15K
HF Energy	-185.694299
Nuclear repulsion energy	89.250396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3208	3078	0.00
2	A_g	2323	2229	0.00
3	A_g	1162	1115	0.00
4	A_g	943	905	0.00
5	A_g	457	438	0.00
6	A_u	987	946	157.26
7	A_u	306	294	0.14
8	B_g	870	834	0.00
9	B_u	3207	3077	21.28
10	B_u	1772	1700	102.97
11	B_u	1146	1100	485.77
12	B_u	315	302	42.09

Atom	x (Å)	y (Å)
C1	0.007	-0.639
C2	-0.007	0.639
N3	-0.007	-1.886
N4	0.007	1.886
H5	0.925	-2.353
H6	-0.925	2.353

	C1	C2	N3	N4	H5	H6
C1		1.2771	1.2473	2.5242	1.9449	3.1337
C2	1.2771		2.5242	1.2473	3.1337	1.9449
N3	1.2473	2.5242		3.7714	1.0426	4.3373
N4	2.5242	1.2473	3.7714		4.3373	1.0426
H5	1.9449	3.1337	1.0426	4.3373		5.0572
H6	3.1337	1.9449	4.3373	1.0426	5.0572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.682		C1	N3	H5	115.992
C2	C1	N3	178.682		C2	N4	H6	115.992

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3PW91/3-21G*

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	0.428
2	C	0.428
3	N	-0.723
4	N	-0.723
5	H	0.295
6	H	0.295

	x	y	z
x	2.285	-1.122	0.000
y	-1.122	10.189	0.000
z	0.000	0.000	1.533

<r²>	81.321
(<r²>)^1/2	9.018