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	hartrees
Energy at 0K	-186.316882
Energy at 298.15K
HF Energy	-185.700862
Nuclear repulsion energy	88.287458

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	3421	3315	0.00	554.63	0.28	0.44
2	A_g	2028	1965	0.00	5.03	0.70	0.82
3	A_g	1148	1113	0.00	42.45	0.51	0.68
4	A_g	909	881	0.00	36.64	0.12	0.22
5	A_g	345	334	0.00	2.39	0.31	0.47
6	A_u	936	908	113.44	0.00	0.75	0.86
7	A_u	241	233	0.03	0.00	0.75	0.86
8	B_g	700	678	0.00	1.75	0.75	0.86
9	B_u	3421	3315	32.96	0.00	0.28	0.44
10	B_u	1686	1634	106.96	0.00	0.00	0.00
11	B_u	1099	1065	402.99	0.00	0.34	0.51
12	B_u	276	267	6.91	0.00	0.35	0.52

Atom	x (Å)	y (Å)
C1	0.315	-0.586
C2	-0.315	0.586
N3	0.315	-1.852
N4	-0.315	1.852
H5	1.276	-2.225
H6	-1.276	2.225

	C1	C2	N3	N4	H5	H6
C1		1.3309	1.2655	2.5179	1.8998	3.2302
C2	1.3309		2.5179	1.2655	3.2302	1.8998
N3	1.2655	2.5179		3.7565	1.0309	4.3761
N4	2.5179	1.2655	3.7565		4.3761	1.0309
H5	1.8998	3.2302	1.0309	4.3761		5.1298
H6	3.2302	1.8998	4.3761	1.0309	5.1298

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.739		C1	N3	H5	111.238
C2	C1	N3	151.739		C2	N4	H6	111.238

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=FULL/aug-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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