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	hartrees
Energy at 0K	-185.747342
Energy at 298.15K
HF Energy	-185.747342
Nuclear repulsion energy	90.984606

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	3672	3336	0.00	511.82	0.31	0.47
2	A_g	2435	2212	0.00	101.93	0.34	0.51
3	A_g	1265	1149	0.00	15.39	0.62	0.76
4	A_g	997	906	0.00	62.70	0.17	0.29
5	A_g	333	302	0.00	6.37	0.61	0.76
6	A_u	1047	951	148.07	0.00	0.00	0.00
7	A_u	278	253	0.64	0.00	0.00	0.00
8	B_g	705	641	0.00	5.64	0.75	0.86
9	B_u	3673	3337	58.09	0.00	0.00	0.00
10	B_u	1882	1710	358.22	0.00	0.00	0.00
11	B_u	1261	1146	336.92	0.00	0.00	0.00
12	B_u	317	288	12.39	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.113	-0.625
C2	-0.113	0.625
N3	0.113	-1.847
N4	-0.113	1.847
H5	1.040	-2.240
H6	-1.040	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2712	1.2211	2.4824	1.8610	3.0882
C2	1.2712		2.4824	1.2211	3.0882	1.8610
N3	1.2211	2.4824		3.7001	1.0062	4.2456
N4	2.4824	1.2211	3.7001		4.2456	1.0062
H5	1.8610	3.0882	1.0062	4.2456		4.9381
H6	3.0882	1.8610	4.2456	1.0062	4.9381

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	169.738		C1	N3	H5	112.987
C2	C1	N3	169.738		C2	N4	H6	112.987

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/6-311+G(3df,2p)

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	0.881
2	C	0.881
3	N	-1.083
4	N	-1.083
5	H	0.202
6	H	0.202

	x	y	z
x	4.154	-1.267	0.000
y	-1.267	11.341	0.000
z	0.000	0.000	3.547

<r²>	79.330
(<r²>)^1/2	8.907