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	hartrees
Energy at 0K	-186.664614
Energy at 298.15K
HF Energy	-186.455265
Nuclear repulsion energy	88.872968

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	3412	3412	0.00	692.74	0.30	0.46
2	A_g	2079	2079	0.00	24.04	0.37	0.55
3	A_g	1174	1174	0.00	36.22	0.47	0.64
4	A_g	919	919	0.00	51.16	0.14	0.25
5	A_g	320	320	0.00	2.74	0.43	0.60
6	A_u	947	947	115.46	0.00	0.00	0.00
7	A_u	249	249	0.01	0.00	0.00	0.00
8	B_g	691	691	0.00	3.78	0.75	0.86
9	B_u	3412	3412	18.92	0.00	0.30	0.46
10	B_u	1719	1719	155.31	0.00	0.00	0.00
11	B_u	1131	1131	405.82	0.00	0.00	0.00
12	B_u	277	277	6.39	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.287	-0.593
C2	-0.287	0.593
N3	0.287	-1.848
N4	-0.287	1.848
H5	1.238	-2.236
H6	-1.238	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3172	1.2551	2.5074	1.8985	3.2136
C2	1.3172		2.5074	1.2551	3.2136	1.8985
N3	1.2551	2.5074		3.7403	1.0275	4.3593
N4	2.5074	1.2551	3.7403		4.3593	1.0275
H5	1.8985	3.2136	1.0275	4.3593		5.1115
H6	3.2136	1.8985	4.3593	1.0275	5.1115

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.192		C1	N3	H5	112.173
C2	C1	N3	154.192		C2	N4	H6	112.173

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULL/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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