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	hartrees
Energy at 0K	-186.659072
Energy at 298.15K
HF Energy	-186.659072
Nuclear repulsion energy	89.922821

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	3427	3295	0.00	709.44	0.30	0.46
2	A_g	2205	2120	0.00	27.18	0.41	0.58
3	A_g	1170	1125	0.00	28.22	0.50	0.66
4	A_g	947	910	0.00	51.34	0.16	0.27
5	A_g	308	297	0.00	2.83	0.56	0.72
6	A_u	967	930	120.14	0.00	0.00	0.00
7	A_u	255	245	0.01	0.00	0.00	0.00
8	B_g	675	649	0.00	3.34	0.75	0.86
9	B_u	3427	3295	15.81	0.00	0.00	0.00
10	B_u	1779	1710	194.17	0.00	0.00	0.00
11	B_u	1142	1098	359.38	0.00	0.00	0.00
12	B_u	286	275	6.65	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.217	-0.608
C2	-0.217	0.608
N3	0.217	-1.846
N4	-0.217	1.846
H5	1.159	-2.242
H6	-1.159	2.242

	C1	C2	N3	N4	H5	H6
C1		1.2908	1.2379	2.4917	1.8867	3.1651
C2	1.2908		2.4917	1.2379	3.1651	1.8867
N3	1.2379	2.4917		3.7169	1.0225	4.3135
N4	2.4917	1.2379	3.7169		4.3135	1.0225
H5	1.8867	3.1651	1.0225	4.3135		5.0486
H6	3.1651	1.8867	4.3135	1.0225	5.0486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.360		C1	N3	H5	112.822
C2	C1	N3	160.360		C2	N4	H6	112.822

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/aug-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	0.192
2	C	0.192
3	N	-0.355
4	N	-0.355
5	H	0.163
6	H	0.163

	x	y	z
x	4.813	-1.843	0.000
y	-1.843	11.491	0.000
z	0.000	0.000	3.741

<r²>	80.102
(<r²>)^1/2	8.950