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	hartrees
Energy at 0K	-186.779410
Energy at 298.15K
HF Energy	-186.779410
Nuclear repulsion energy	88.305609

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	3204	3209	0.00	982.53	0.31	0.48
2	A_g	1993	1997	0.00	20.63	0.36	0.53
3	A_g	1155	1157	0.00	32.50	0.71	0.83
4	A_g	904	905	0.00	30.84	0.25	0.40
5	A_g	341	341	0.00	3.39	0.49	0.66
6	A_u	915	916	101.47	0.00	0.00	0.00
7	A_u	244	245	0.26	0.00	0.00	0.00
8	B_g	692	693	0.00	12.26	0.75	0.86
9	B_u	3204	3209	7.05	0.00	0.00	0.00
10	B_u	1691	1694	113.75	0.00	0.00	0.00
11	B_u	1104	1106	388.10	0.00	0.00	0.00
12	B_u	279	279	7.42	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.324	-0.582
C2	-0.324	0.582
N3	0.324	-1.845
N4	-0.324	1.845
H5	1.295	-2.228
H6	-1.295	2.228

	C1	C2	N3	N4	H5	H6
C1		1.3316	1.2627	2.5112	1.9109	3.2422
C2	1.3316		2.5112	1.2627	3.2422	1.9109
N3	1.2627	2.5112		3.7454	1.0439	4.3819
N4	2.5112	1.2627	3.7454		4.3819	1.0439
H5	1.9109	3.2422	1.0439	4.3819		5.1530
H6	3.2422	1.9109	4.3819	1.0439	5.1530

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	150.913		C1	N3	H5	111.528
C2	C1	N3	150.913		C2	N4	H6	111.528

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: BLYP/cc-pVDZ

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	-0.029
2	C	-0.029
3	N	-0.090
4	N	-0.090
5	H	0.119
6	H	0.119

	x	y	z
x	4.195	-2.696	0.000
y	-2.696	10.110	0.000
z	0.000	0.000	2.272

<r²>	81.178
(<r²>)^1/2	9.010