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	hartrees
Energy at 0K	-186.628201
Energy at 298.15K
HF Energy	-186.628201
Nuclear repulsion energy	89.808925

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	3428	3286	0.00	744.20	0.32	0.48
2	A_g	2219	2127	0.00	27.17	0.39	0.57
3	A_g	1199	1149	0.00	24.41	0.75	0.85
4	A_g	948	908	0.00	36.85	0.26	0.42
5	A_g	301	288	0.00	4.54	0.41	0.58
6	A_u	983	942	145.46	0.00	0.00	0.00
7	A_u	258	248	0.00	0.00	0.00	0.00
8	B_g	685	656	0.00	7.86	0.75	0.86
9	B_u	3429	3287	2.39	0.00	0.00	0.00
10	B_u	1785	1711	169.97	0.00	0.00	0.00
11	B_u	1167	1119	399.54	0.00	0.00	0.00
12	B_u	289	277	8.67	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.220	-0.607
C2	-0.220	0.607
N3	0.220	-1.848
N4	-0.220	1.848
H5	1.166	-2.240
H6	-1.166	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2923	1.2400	2.4942	1.8865	3.1667
C2	1.2923		2.4942	1.2400	3.1667	1.8865
N3	1.2400	2.4942		3.7212	1.0236	4.3160
N4	2.4942	1.2400	3.7212		4.3160	1.0236
H5	1.8865	3.1667	1.0236	4.3160		5.0501
H6	3.1667	1.8865	4.3160	1.0236	5.0501

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.079		C1	N3	H5	112.547
C2	C1	N3	160.079		C2	N4	H6	112.547

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/6-311G*

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	0.213
2	C	0.213
3	N	-0.532
4	N	-0.532
5	H	0.319
6	H	0.319

	x	y	z
x	3.622	-2.042	0.000
y	-2.042	10.279	0.000
z	0.000	0.000	2.304

<r²>	80.010
(<r²>)^1/2	8.945