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	hartrees
Energy at 0K	-186.762655
Energy at 298.15K
HF Energy	-186.762655
Nuclear repulsion energy	89.407326

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	3460	3313	0.00	579.51	0.30	0.46
2	A_g	2202	2108	0.00	37.00	0.37	0.54
3	A_g	1182	1132	0.00	24.15	0.57	0.73
4	A_g	942	902	0.00	52.64	0.16	0.28
5	A_g	312	298	0.00	4.04	0.54	0.70
6	A_u	962	921	124.50	0.00	0.00	0.00
7	A_u	251	240	0.03	0.00	0.00	0.00
8	B_g	680	651	0.00	3.88	0.75	0.86
9	B_u	3460	3313	24.72	0.00	0.30	0.46
10	B_u	1776	1700	225.60	0.00	0.00	0.00
11	B_u	1150	1101	377.32	0.00	0.00	0.00
12	B_u	283	271	6.01	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.243	-0.605
C2	-0.243	0.605
N3	0.243	-1.850
N4	-0.243	1.850
H5	1.194	-2.235
H6	-1.194	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3045	1.2450	2.5033	1.8871	3.1833
C2	1.3045		2.5033	1.2450	3.1833	1.8871
N3	1.2450	2.5033		3.7325	1.0258	4.3310
N4	2.5033	1.2450	3.7325		4.3310	1.0258
H5	1.8871	3.1833	1.0258	4.3310		5.0683
H6	3.1833	1.8871	4.3310	1.0258	5.0683

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.148		C1	N3	H5	112.045
C2	C1	N3	158.148		C2	N4	H6	112.045

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/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	0.119
2	C	0.119
3	N	-0.214
4	N	-0.214
5	H	0.095
6	H	0.095

	x	y	z
x	4.909	-1.957	0.000
y	-1.957	11.488	0.000
z	0.000	0.000	3.749

<r²>	80.762
(<r²>)^1/2	8.987