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	hartrees
Energy at 0K	-186.763545
Energy at 298.15K
HF Energy	-186.763545
Nuclear repulsion energy	89.430177

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	3461	3461	0.00	587.89	0.30	0.46
2	A_g	2205	2205	0.00	33.74	0.38	0.55
3	A_g	1187	1187	0.00	25.80	0.51	0.68
4	A_g	942	942	0.00	53.43	0.15	0.26
5	A_g	303	303	0.00	3.84	0.53	0.70
6	A_u	963	963	122.87	0.00	0.00	0.00
7	A_u	253	253	0.04	0.00	0.00	0.00
8	B_g	679	679	0.00	3.85	0.75	0.86
9	B_u	3461	3461	25.01	0.00	0.00	0.00
10	B_u	1775	1775	225.71	0.00	0.00	0.00
11	B_u	1156	1156	371.41	0.00	0.00	0.00
12	B_u	283	283	5.96	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.239	-0.606
C2	-0.239	0.606
N3	0.239	-1.851
N4	-0.239	1.851
H5	1.190	-2.235
H6	-1.190	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3032	1.2449	2.5034	1.8859	3.1799
C2	1.3032		2.5034	1.2449	3.1799	1.8859
N3	1.2449	2.5034		3.7331	1.0255	4.3285
N4	2.5034	1.2449	3.7331		4.3285	1.0255
H5	1.8859	3.1799	1.0255	4.3285		5.0635
H6	3.1799	1.8859	4.3285	1.0255	5.0635

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.505		C1	N3	H5	111.962
C2	C1	N3	158.505		C2	N4	H6	111.962

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/daug-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	0.099
2	C	0.099
3	N	-0.169
4	N	-0.169
5	H	0.070
6	H	0.070

	x	y	z
x	4.962	-1.930	0.000
y	-1.930	11.546	0.000
z	0.000	0.000	3.856

<r²>	80.749
(<r²>)^1/2	8.986