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	hartrees
Energy at 0K	-186.819721
Energy at 298.15K
HF Energy	-186.819721
Nuclear repulsion energy	89.108491

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	3373	3233	0.00	780.16	0.31	0.48
2	A_g	2104	2017	0.00	28.27	0.35	0.52
3	A_g	1186	1137	0.00	30.27	0.75	0.86
4	A_g	937	899	0.00	34.97	0.27	0.42
5	A_g	343	329	0.00	4.26	0.30	0.47
6	A_u	958	918	131.37	0.00	0.00	0.00
7	A_u	251	240	0.00	0.00	0.00	0.00
8	B_g	704	675	0.00	14.36	0.75	0.86
9	B_u	3373	3234	2.19	0.00	0.00	0.00
10	B_u	1757	1684	140.68	0.00	0.00	0.00
11	B_u	1137	1090	422.30	0.00	0.00	0.00
12	B_u	286	274	6.42	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.296	-0.587
C2	-0.296	0.587
N3	0.296	-1.839
N4	-0.296	1.839
H5	1.251	-2.222
H6	-1.251	2.222

	C1	C2	N3	N4	H5	H6
C1		1.3140	1.2520	2.4964	1.8940	3.2066
C2	1.3140		2.4964	1.2520	3.2066	1.8940
N3	1.2520	2.4964		3.7245	1.0292	4.3454
N4	2.4964	1.2520	3.7245		4.3454	1.0292
H5	1.8940	3.2066	1.0292	4.3454		5.1002
H6	3.2066	1.8940	4.3454	1.0292	5.1002

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.221		C1	N3	H5	111.877
C2	C1	N3	153.221		C2	N4	H6	111.877

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/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	0.248
2	C	0.248
3	N	-0.530
4	N	-0.530
5	H	0.281
6	H	0.281

	x	y	z
x	3.885	-2.495	0.000
y	-2.495	10.065	0.000
z	0.000	0.000	2.052

<r²>	80.232
(<r²>)^1/2	8.957