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	hartrees
Energy at 0K	-186.663839
Energy at 298.15K
HF Energy	-186.663839
Nuclear repulsion energy	88.894444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3372	3230	0.00
2	A_g	2180	2088	0.00
3	A_g	1163	1113	0.00
4	A_g	945	905	0.00
5	A_g	373	357	0.00
6	A_u	971	930	171.30
7	A_u	256	245	0.25
8	B_g	707	677	0.00
9	B_u	3374	3231	0.57
10	B_u	1768	1693	127.84
11	B_u	1084	1039	540.65
12	B_u	284	272	10.40

Atom	x (Å)	y (Å)
C1	0.262	-0.597
C2	-0.262	0.597
N3	0.262	-1.852
N4	-0.262	1.852
H5	1.187	-2.307
H6	-1.187	2.307

	C1	C2	N3	N4	H5	H6
C1		1.3048	1.2550	2.5053	1.9431	3.2453
C2	1.3048		2.5053	1.2550	3.2453	1.9431
N3	1.2550	2.5053		3.7417	1.0299	4.4041
N4	2.5053	1.2550	3.7417		4.4041	1.0299
H5	1.9431	3.2453	1.0299	4.4041		5.1878
H6	3.2453	1.9431	4.4041	1.0299	5.1878

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.295		C1	N3	H5	116.171
C2	C1	N3	156.295		C2	N4	H6	116.171

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	0.189
2	C	0.189
3	N	-0.507
4	N	-0.507
5	H	0.318
6	H	0.318

	x	y	z
x	3.460	-2.401	0.000
y	-2.401	10.363	0.000
z	0.000	0.000	1.768

<r²>	81.165
(<r²>)^1/2	9.009