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	hartrees
Energy at 0K	-186.900893
Energy at 298.15K
HF Energy	-186.900893
Nuclear repulsion energy	89.620663

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	3364	3364	0.00	772.30	0.31	0.47
2	A_g	2107	2107	0.00	27.26	0.40	0.57
3	A_g	1173	1173	0.00	33.17	0.48	0.65
4	A_g	930	930	0.00	48.64	0.15	0.26
5	A_g	326	326	0.00	2.30	0.55	0.71
6	A_u	959	959	113.55	0.00	0.00	0.00
7	A_u	250	250	0.02	0.00	0.00	0.00
8	B_g	688	688	0.00	4.07	0.75	0.86
9	B_u	3364	3364	6.26	0.00	0.00	0.00
10	B_u	1738	1738	163.81	0.00	0.00	0.00
11	B_u	1134	1134	389.16	0.00	0.00	0.00
12	B_u	283	283	6.38	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.263	-0.595
C2	-0.263	0.595
N3	0.263	-1.838
N4	-0.263	1.838
H5	1.207	-2.237
H6	-1.207	2.237

	C1	C2	N3	N4	H5	H6
C1		1.3003	1.2436	2.4889	1.8942	3.1903
C2	1.3003		2.4889	1.2436	3.1903	1.8942
N3	1.2436	2.4889		3.7138	1.0250	4.3320
N4	2.4889	1.2436	3.7138		4.3320	1.0250
H5	1.8942	3.1903	1.0250	4.3320		5.0834
H6	3.1903	1.8942	4.3320	1.0250	5.0834

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.132		C1	N3	H5	112.873
C2	C1	N3	156.132		C2	N4	H6	112.873

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/aug-cc-pVQZ

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	0.148
2	C	0.148
3	N	-0.487
4	N	-0.487
5	H	0.339
6	H	0.339

	x	y	z
x	5.066	-2.106	0.000
y	-2.106	11.549	0.000
z	0.000	0.000	3.793

<r²>	80.191
(<r²>)^1/2	8.955