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	hartrees
Energy at 0K	-186.684757
Energy at 298.15K
HF Energy	-186.684757
Nuclear repulsion energy	89.065527

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	3405	3223	0.00	844.53	0.32	0.48
2	A_g	2210	2092	0.00	26.32	0.37	0.54
3	A_g	1168	1106	0.00	32.79	0.69	0.82
4	A_g	952	901	0.00	36.07	0.30	0.46
5	A_g	374	354	0.00	4.37	0.38	0.55
6	A_u	979	927	174.65	0.00	0.00	0.00
7	A_u	257	243	0.22	0.00	0.00	0.00
8	B_g	708	670	0.00	16.26	0.75	0.86
9	B_u	3407	3225	0.23	0.00	0.00	0.00
10	B_u	1784	1689	136.76	0.00	0.00	0.00
11	B_u	1091	1033	543.60	0.00	0.00	0.00
12	B_u	285	270	10.73	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.253	-0.600
C2	-0.253	0.600
N3	0.253	-1.852
N4	-0.253	1.852
H5	1.174	-2.307
H6	-1.174	2.307

	C1	C2	N3	N4	H5	H6
C1		1.3013	1.2522	2.5030	1.9400	3.2377
C2	1.3013		2.5030	1.2522	3.2377	1.9400
N3	1.2522	2.5030		3.7380	1.0273	4.3967
N4	2.5030	1.2522	3.7380		4.3967	1.0273
H5	1.9400	3.2377	1.0273	4.3967		5.1768
H6	3.2377	1.9400	4.3967	1.0273	5.1768

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.149		C1	N3	H5	116.303
C2	C1	N3	157.149		C2	N4	H6	116.303

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/6-31G

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	0.195
2	C	0.195
3	N	-0.515
4	N	-0.515
5	H	0.321
6	H	0.321

	x	y	z
x	3.382	-2.341	0.000
y	-2.341	10.342	0.000
z	0.000	0.000	1.759

<r²>	81.012
(<r²>)^1/2	9.001