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	hartrees
Energy at 0K	-186.841018
Energy at 298.15K
HF Energy	-186.841018
Nuclear repulsion energy	89.201142

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	3382	3382	0.00	767.50	0.31	0.47
2	A_g	2131	2131	0.00	27.69	0.41	0.58
3	A_g	1180	1180	0.00	34.47	0.47	0.64
4	A_g	932	932	0.00	51.27	0.15	0.26
5	A_g	315	315	0.00	2.60	0.56	0.71
6	A_u	952	952	117.38	0.00	0.00	0.00
7	A_u	252	252	0.00	0.00	0.00	0.00
8	B_g	684	684	0.00	4.29	0.75	0.86
9	B_u	3382	3382	10.58	0.00	0.31	0.47
10	B_u	1747	1747	187.69	0.00	0.00	0.00
11	B_u	1142	1142	376.98	0.00	0.00	0.00
12	B_u	280	280	5.73	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.262	-0.599
C2	-0.262	0.599
N3	0.262	-1.848
N4	-0.262	1.848
H5	1.211	-2.243
H6	-1.211	2.243

	C1	C2	N3	N4	H5	H6
C1		1.3083	1.2488	2.5031	1.8980	3.2014
C2	1.3083		2.5031	1.2488	3.2014	1.8980
N3	1.2488	2.5031		3.7334	1.0282	4.3483
N4	2.5031	1.2488	3.7334		4.3483	1.0282
H5	1.8980	3.2014	1.0282	4.3483		5.0982
H6	3.2014	1.8980	4.3483	1.0282	5.0982

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.390		C1	N3	H5	112.570
C2	C1	N3	156.390		C2	N4	H6	112.570

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYPultrafine/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	0.147
2	C	0.147
3	N	-0.136
4	N	-0.136
5	H	-0.011
6	H	-0.011

	x	y	z
x	5.133	-2.125	0.000
y	-2.125	11.742	0.000
z	0.000	0.000	3.864

<r²>	81.081
(<r²>)^1/2	9.005