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	hartrees
Energy at 0K	-186.889081
Energy at 298.15K
HF Energy	-186.889081
Nuclear repulsion energy	89.580231

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	3366	3366	0.00	780.51	0.31	0.47
2	A_g	2108	2108	0.00	26.97	0.40	0.57
3	A_g	1174	1174	0.00	33.91	0.47	0.64
4	A_g	930	930	0.00	48.74	0.15	0.26
5	A_g	327	327	0.00	2.28	0.54	0.71
6	A_u	958	958	113.64	0.00	0.00	0.00
7	A_u	252	252	0.02	0.00	0.00	0.00
8	B_g	689	689	0.00	4.04	0.75	0.86
9	B_u	3366	3366	6.31	0.00	0.00	0.00
10	B_u	1738	1738	162.60	0.00	0.00	0.00
11	B_u	1135	1135	387.90	0.00	0.00	0.00
12	B_u	284	284	6.40	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.263	-0.595
C2	-0.263	0.595
N3	0.263	-1.839
N4	-0.263	1.839
H5	1.209	-2.236
H6	-1.209	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3008	1.2443	2.4901	1.8943	3.1908
C2	1.3008		2.4901	1.2443	3.1908	1.8943
N3	1.2443	2.4901		3.7155	1.0254	4.3330
N4	2.4901	1.2443	3.7155		4.3330	1.0254
H5	1.8943	3.1908	1.0254	4.3330		5.0840
H6	3.1908	1.8943	4.3330	1.0254	5.0840

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.124		C1	N3	H5	112.798
C2	C1	N3	156.124		C2	N4	H6	112.798

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/daug-cc-pVTZ

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	0.633
2	C	0.633
3	N	-0.894
4	N	-0.894
5	H	0.261
6	H	0.261

	x	y	z
x	5.073	-2.110	0.000
y	-2.110	11.564	0.000
z	0.000	0.000	3.797

<r²>	80.250
(<r²>)^1/2	8.958