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	hartrees
Energy at 0K	-186.769930
Energy at 298.15K
HF Energy	-186.769930
Nuclear repulsion energy	89.360259

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	3401	3259	0.00	794.38	0.31	0.47
2	A_g	2207	2115	0.00	24.81	0.38	0.55
3	A_g	1183	1134	0.00	22.05	0.74	0.85
4	A_g	950	910	0.00	35.71	0.27	0.43
5	A_g	289	277	0.00	3.66	0.46	0.63
6	A_u	962	922	119.50	0.00	0.00	0.00
7	A_u	254	244	0.00	0.00	0.00	0.00
8	B_g	683	654	0.00	8.87	0.75	0.86
9	B_u	3402	3260	7.63	0.00	0.00	0.00
10	B_u	1790	1716	170.37	0.00	0.00	0.00
11	B_u	1152	1104	372.09	0.00	0.00	0.00
12	B_u	287	275	6.60	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.245	-0.604
C2	-0.245	0.604
N3	0.245	-1.850
N4	-0.245	1.850
H5	1.205	-2.225
H6	-1.205	2.225

	C1	C2	N3	N4	H5	H6
C1		1.3043	1.2459	2.5031	1.8840	3.1797
C2	1.3043		2.5031	1.2459	3.1797	1.8840
N3	1.2459	2.5031		3.7328	1.0309	4.3259
N4	2.5031	1.2459	3.7328		4.3259	1.0309
H5	1.8840	3.1797	1.0309	4.3259		5.0614
H6	3.1797	1.8840	4.3259	1.0309	5.0614

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.935		C1	N3	H5	111.333
C2	C1	N3	157.935		C2	N4	H6	111.333

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/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	0.030
2	C	0.030
3	N	-0.169
4	N	-0.169
5	H	0.139
6	H	0.139

	x	y	z
x	3.663	-2.251	0.000
y	-2.251	10.017	0.000
z	0.000	0.000	2.249

<r²>	80.234
(<r²>)^1/2	8.957