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	hartrees
Energy at 0K	-186.517564
Energy at 298.15K
HF Energy	-186.517564
Nuclear repulsion energy	89.023819

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	3399	3249	0.00	856.24	0.32	0.48
2	A_g	2214	2116	0.00	25.52	0.37	0.54
3	A_g	1165	1114	0.00	33.24	0.70	0.82
4	A_g	953	911	0.00	36.30	0.30	0.46
5	A_g	375	358	0.00	4.24	0.37	0.55
6	A_u	978	935	174.53	0.00	0.00	0.00
7	A_u	256	245	0.23	0.00	0.00	0.00
8	B_g	707	676	0.00	16.22	0.75	0.86
9	B_u	3401	3251	0.25	0.00	0.00	0.00
10	B_u	1785	1706	136.12	0.00	0.00	0.00
11	B_u	1089	1041	541.37	0.00	0.00	0.00
12	B_u	285	272	10.93	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.252	-0.600
C2	-0.252	0.600
N3	0.252	-1.853
N4	-0.252	1.853
H5	1.174	-2.308
H6	-1.174	2.308

	C1	C2	N3	N4	H5	H6
C1		1.3018	1.2527	2.5043	1.9410	3.2391
C2	1.3018		2.5043	1.2527	3.2391	1.9410
N3	1.2527	2.5043		3.7399	1.0283	4.3986
N4	2.5043	1.2527	3.7399		4.3986	1.0283
H5	1.9410	3.2391	1.0283	4.3986		5.1792
H6	3.2391	1.9410	4.3986	1.0283	5.1792

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.244		C1	N3	H5	116.284
C2	C1	N3	157.244		C2	N4	H6	116.284

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/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	0.194
2	C	0.194
3	N	-0.516
4	N	-0.516
5	H	0.322
6	H	0.322

	x	y	z
x	3.391	-2.348	0.000
y	-2.348	10.353	0.000
z	0.000	0.000	1.759

<r²>	81.102
(<r²>)^1/2	9.006