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	hartrees
Energy at 0K	-186.757128
Energy at 298.15K
HF Energy	-186.498952
Nuclear repulsion energy	89.667811

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	3418	3279	0.00	694.42	0.30	0.46
2	A_g	2130	2044	0.00	21.67	0.40	0.57
3	A_g	1169	1122	0.00	33.47	0.48	0.65
4	A_g	929	892	0.00	50.74	0.15	0.26
5	A_g	311	299	0.00	2.79	0.45	0.62
6	A_u	959	920	116.38	0.00	0.00	0.00
7	A_u	255	244	0.00	0.00	0.00	0.00
8	B_g	680	652	0.00	3.08	0.75	0.86
9	B_u	3418	3279	17.84	0.00	0.30	0.46
10	B_u	1731	1660	156.13	0.00	0.00	0.00
11	B_u	1134	1088	393.93	0.00	0.00	0.00
12	B_u	280	269	5.93	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.243	-0.600
C2	-0.243	0.600
N3	0.243	-1.844
N4	-0.243	1.844
H5	1.184	-2.242
H6	-1.184	2.242

	C1	C2	N3	N4	H5	H6
C1		1.2955	1.2438	2.4926	1.8921	3.1805
C2	1.2955		2.4926	1.2438	3.1805	1.8921
N3	1.2438	2.4926		3.7204	1.0212	4.3283
N4	2.4926	1.2438	3.7204		4.3283	1.0212
H5	1.8921	3.1805	1.0212	4.3283		5.0708
H6	3.1805	1.8921	4.3283	1.0212	5.0708

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.958		C1	N3	H5	112.933
C2	C1	N3	157.958		C2	N4	H6	112.933

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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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