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	hartrees
Energy at 0K	-186.784637
Energy at 298.15K
HF Energy	-186.784637
Nuclear repulsion energy	89.420548

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	3431	3288	0.00	676.06	0.30	0.46
2	A_g	2185	2094	0.00	32.67	0.38	0.55
3	A_g	1176	1127	0.00	27.07	0.55	0.71
4	A_g	945	905	0.00	51.02	0.16	0.27
5	A_g	320	307	0.00	3.05	0.56	0.72
6	A_u	960	920	120.61	0.00	0.00	0.00
7	A_u	253	242	0.00	0.00	0.00	0.00
8	B_g	685	656	0.00	3.86	0.75	0.86
9	B_u	3431	3288	15.11	0.00	0.30	0.46
10	B_u	1778	1703	197.22	0.00	0.00	0.00
11	B_u	1143	1095	367.19	0.00	0.00	0.00
12	B_u	283	272	6.18	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.249	-0.603
C2	-0.249	0.603
N3	0.249	-1.848
N4	-0.249	1.848
H5	1.199	-2.237
H6	-1.199	2.237

	C1	C2	N3	N4	H5	H6
C1		1.3044	1.2451	2.5006	1.8901	3.1876
C2	1.3044		2.5006	1.2451	3.1876	1.8901
N3	1.2451	2.5006		3.7289	1.0261	4.3338
N4	2.5006	1.2451	3.7289		4.3338	1.0261
H5	1.8901	3.1876	1.0261	4.3338		5.0759
H6	3.1876	1.8901	4.3338	1.0261	5.0759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.509		C1	N3	H5	112.293
C2	C1	N3	157.509		C2	N4	H6	112.293

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/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	0.195
2	C	0.195
3	N	-0.290
4	N	-0.290
5	H	0.094
6	H	0.094

	x	y	z
x	4.912	-2.017	0.000
y	-2.017	11.474	0.000
z	0.000	0.000	3.694

<r²>	80.670
(<r²>)^1/2	8.982