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	hartrees
Energy at 0K	-186.847611
Energy at 298.15K
HF Energy	-186.847611
Nuclear repulsion energy	88.995018

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	3353	3244	0.00	754.83	0.31	0.47
2	A_g	2085	2016	0.00	33.45	0.36	0.52
3	A_g	1174	1135	0.00	32.79	0.54	0.70
4	A_g	927	896	0.00	48.52	0.15	0.26
5	A_g	342	331	0.00	2.43	0.57	0.73
6	A_u	948	917	113.42	0.00	0.00	0.00
7	A_u	248	240	0.04	0.00	0.00	0.00
8	B_g	699	676	0.00	4.61	0.75	0.86
9	B_u	3353	3244	4.69	0.00	0.31	0.47
10	B_u	1735	1678	167.17	0.00	0.00	0.00
11	B_u	1131	1094	392.27	0.00	0.00	0.00
12	B_u	281	271	6.93	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.295	-0.588
C2	-0.295	0.588
N3	0.295	-1.841
N4	-0.295	1.841
H5	1.250	-2.230
H6	-1.250	2.230

	C1	C2	N3	N4	H5	H6
C1		1.3165	1.2528	2.5003	1.8989	3.2139
C2	1.3165		2.5003	1.2528	3.2139	1.8989
N3	1.2528	2.5003		3.7294	1.0309	4.3543
N4	2.5003	1.2528	3.7294		4.3543	1.0309
H5	1.8989	3.2139	1.0309	4.3543		5.1124
H6	3.2139	1.8989	4.3543	1.0309	5.1124

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.362		C1	N3	H5	112.145
C2	C1	N3	153.362		C2	N4	H6	112.145

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/aug-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	0.187
2	C	0.187
3	N	-0.268
4	N	-0.268
5	H	0.081
6	H	0.081

	x	y	z
x	5.204	-2.286	0.000
y	-2.286	11.567	0.000
z	0.000	0.000	3.747

<r²>	80.916
(<r²>)^1/2	8.995