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	hartrees
Energy at 0K	-186.746042
Energy at 298.15K
HF Energy	-186.746042
Nuclear repulsion energy	89.481244

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	3487	3320	0.00	570.27	0.33	0.50
2	A_g	2201	2096	0.00	48.01	0.37	0.54
3	A_g	1182	1126	0.00	28.19	0.74	0.85
4	A_g	950	904	0.00	51.15	0.20	0.33
5	A_g	334	318	0.00	9.23	0.26	0.41
6	A_u	968	922	146.12	0.00	0.00	0.00
7	A_u	255	243	0.01	0.00	0.00	0.00
8	B_g	703	669	0.00	6.98	0.75	0.86
9	B_u	3487	3321	21.10	0.00	0.00	0.00
10	B_u	1789	1704	235.23	0.00	0.00	0.00
11	B_u	1142	1088	385.24	0.00	0.00	0.00
12	B_u	282	268	8.10	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.251	-0.602
C2	-0.251	0.602
N3	0.251	-1.846
N4	-0.251	1.846
H5	1.199	-2.233
H6	-1.199	2.233

	C1	C2	N3	N4	H5	H6
C1		1.3042	1.2446	2.4992	1.8864	3.1840
C2	1.3042		2.4992	1.2446	3.1840	1.8864
N3	1.2446	2.4992		3.7268	1.0236	4.3293
N4	2.4992	1.2446	3.7268		4.3293	1.0236
H5	1.8864	3.1840	1.0236	4.3293		5.0687
H6	3.1840	1.8864	4.3293	1.0236	5.0687

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.359		C1	N3	H5	112.184
C2	C1	N3	157.359		C2	N4	H6	112.184

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/6-31+G**

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	0.152
2	C	0.152
3	N	-0.449
4	N	-0.449
5	H	0.297
6	H	0.297

	x	y	z
x	4.252	-2.035	0.000
y	-2.035	11.182	0.000
z	0.000	0.000	2.964

<r²>	80.603
(<r²>)^1/2	8.978