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	hartrees
Energy at 0K	-186.885399
Energy at 298.15K
HF Energy	-186.885399
Nuclear repulsion energy	89.570777

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	3361	3254	0.00	808.22	0.30	0.47
2	A_g	2116	2048	0.00	28.86	0.39	0.56
3	A_g	1180	1142	0.00	23.14	0.68	0.81
4	A_g	930	901	0.00	38.28	0.21	0.35
5	A_g	318	308	0.00	2.79	0.51	0.67
6	A_u	962	932	116.67	0.00	0.00	0.00
7	A_u	252	244	0.01	0.00	0.00	0.00
8	B_g	689	668	0.00	6.55	0.75	0.86
9	B_u	3361	3254	3.11	0.00	0.00	0.00
10	B_u	1740	1685	147.13	0.00	0.00	0.00
11	B_u	1141	1105	405.32	0.00	0.00	0.00
12	B_u	288	279	6.19	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.262	-0.595
C2	-0.262	0.595
N3	0.262	-1.840
N4	-0.262	1.840
H5	1.211	-2.231
H6	-1.211	2.231

	C1	C2	N3	N4	H5	H6
C1		1.3006	1.2447	2.4906	1.8913	3.1873
C2	1.3006		2.4906	1.2447	3.1873	1.8913
N3	1.2447	2.4906		3.7166	1.0259	4.3294
N4	2.4906	1.2447	3.7166		4.3294	1.0259
H5	1.8913	3.1873	1.0259	4.3294		5.0774
H6	3.1873	1.8913	4.3294	1.0259	5.0774

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.195		C1	N3	H5	112.452
C2	C1	N3	156.195		C2	N4	H6	112.452

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/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	-0.004
2	C	-0.004
3	N	-0.163
4	N	-0.163
5	H	0.167
6	H	0.167

	x	y	z
x	4.407	-2.241	0.000
y	-2.241	10.740	0.000
z	0.000	0.000	2.998

<r²>	80.042
(<r²>)^1/2	8.947