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	hartrees
Energy at 0K	-185.709697
Energy at 298.15K
HF Energy	-185.709697
Nuclear repulsion energy	90.424295

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	3668	3345	0.00	543.63	0.30	0.46
2	A_g	2429	2216	0.00	96.73	0.36	0.53
3	A_g	1278	1166	0.00	17.15	0.56	0.72
4	A_g	997	909	0.00	65.40	0.16	0.28
5	A_g	324	296	0.00	6.61	0.61	0.76
6	A_u	1039	948	145.40	0.00	0.00	0.00
7	A_u	276	252	0.60	0.00	0.00	0.00
8	B_g	699	638	0.00	5.82	0.75	0.86
9	B_u	3669	3346	56.88	0.00	0.00	0.00
10	B_u	1883	1717	357.24	0.00	0.00	0.00
11	B_u	1275	1163	337.87	0.00	0.00	0.00
12	B_u	313	285	9.70	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.138	-0.626
C2	-0.138	0.626
N3	0.138	-1.855
N4	-0.138	1.855
H5	1.073	-2.239
H6	-1.073	2.239

	C1	C2	N3	N4	H5	H6
C1		1.2821	1.2290	2.4963	1.8643	3.1105
C2	1.2821		2.4963	1.2290	3.1105	1.8643
N3	1.2290	2.4963		3.7202	1.0106	4.2694
N4	2.4963	1.2290	3.7202		4.2694	1.0106
H5	1.8643	3.1105	1.0106	4.2694		4.9657
H6	3.1105	1.8643	4.2694	1.0106	4.9657

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	167.523		C1	N3	H5	112.327
C2	C1	N3	167.523		C2	N4	H6	112.327

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/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	0.296
2	C	0.296
3	N	-0.379
4	N	-0.379
5	H	0.084
6	H	0.084

	x	y	z
x	4.398	-1.459	0.000
y	-1.459	11.521	0.000
z	0.000	0.000	3.708

<r²>	80.127
(<r²>)^1/2	8.951