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	hartrees
Energy at 0K	-186.319899
Energy at 298.15K
HF Energy	-185.701900
Nuclear repulsion energy	88.313039

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	3420	3420	0.00	571.90	0.28	0.44
2	A_g	2033	2033	0.00	4.53	0.74	0.85
3	A_g	1152	1152	0.00	45.03	0.46	0.63
4	A_g	908	908	0.00	37.12	0.11	0.21
5	A_g	331	331	0.00	2.33	0.32	0.48
6	A_u	938	938	111.65	0.00	0.00	0.00
7	A_u	242	242	0.02	0.00	0.00	0.00
8	B_g	698	698	0.00	1.69	0.75	0.86
9	B_u	3420	3420	32.56	0.00	0.28	0.44
10	B_u	1686	1686	105.98	0.00	0.00	0.00
11	B_u	1104	1104	398.84	0.00	0.00	0.00
12	B_u	276	276	6.65	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.310	-0.588
C2	-0.310	0.588
N3	0.310	-1.853
N4	-0.310	1.853
H5	1.270	-2.227
H6	-1.270	2.227

	C1	C2	N3	N4	H5	H6
C1		1.3289	1.2653	2.5184	1.8998	3.2279
C2	1.3289		2.5184	1.2653	3.2279	1.8998
N3	1.2653	2.5184		3.7577	1.0305	4.3754
N4	2.5184	1.2653	3.7577		4.3754	1.0305
H5	1.8998	3.2279	1.0305	4.3754		5.1275
H6	3.2279	1.8998	4.3754	1.0305	5.1275

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.220		C1	N3	H5	111.277
C2	C1	N3	152.220		C2	N4	H6	111.277

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=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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