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	hartrees
Energy at 0K	-320.065025
Energy at 298.15K	-320.055978
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
H1	0.485	1.214	0.000
N2	1.512	1.095	0.000
N3	-1.424	1.182	-0.000
C4	2.063	-0.125	-0.000
O5	1.445	-1.183	-0.000
C6	-2.066	0.068	0.000
N7	-1.463	-1.134	0.000
H8	-0.445	-1.213	0.000
H9	2.108	1.903	0.000
H10	3.166	-0.116	-0.000
H11	-2.060	1.969	-0.000
H12	-3.157	0.016	0.000
H13	-2.018	-1.968	0.000

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0333	1.9090	2.0696	2.5827	2.7966	3.0516	2.5992	1.7629	2.9923	2.6548	3.8342	4.0489
N2	1.0333		2.9364	1.3387	2.2794	3.7218	3.7175	3.0255	1.0044	2.0499	3.6769	4.7916	4.6734
N3	1.9090	2.9364		3.7237	3.7180	1.2854	2.3164	2.5872	3.6043	4.7691	1.0123	2.0890	3.2058
C4	2.0696	1.3387	3.7237		1.2261	4.1338	3.6685	2.7340	2.0285	1.1023	4.6245	5.2223	4.4783
O5	2.5827	2.2794	3.7180	1.2261		3.7275	2.9090	1.8900	3.1571	2.0248	4.7143	4.7558	3.5508
C6	2.7966	3.7218	1.2854	4.1338	3.7275		1.3450	2.0664	4.5592	5.2347	1.9007	1.0924	2.0373
N7	3.0516	3.7175	2.3164	3.6685	2.9090	1.3450		1.0218	4.6883	4.7397	3.1601	2.0472	1.0016
H8	2.5992	3.0255	2.5872	2.7340	1.8900	2.0664	1.0218		4.0283	3.7734	3.5686	2.9777	1.7451
H9	1.7629	1.0044	3.6043	2.0285	3.1571	4.5592	4.6883	4.0283		2.2794	4.1683	5.5929	5.6578
H10	2.9923	2.0499	4.7691	1.1023	2.0248	5.2347	4.7397	3.7734	2.2794		5.6262	6.3240	5.5045
H11	2.6548	3.6769	1.0123	4.6245	4.7143	1.9007	3.1601	3.5686	4.1683	5.6262		2.2400	3.9377
H12	3.8342	4.7916	2.0890	5.2223	4.7558	1.0924	2.0472	2.9777	5.5929	6.3240	2.2400		2.2882
H13	4.0489	4.6734	3.2058	4.4783	3.5508	2.0373	1.0016	1.7451	5.6578	5.5045	3.9377	2.2882

Number	Element	Mulliken
1	H	0.364
2	N	-0.252
3	N	-0.418
4	C	-0.122
5	O	-0.641
6	C	-0.119
7	N	-0.246
8	H	0.318
9	H	0.048
10	H	0.520
11	H	0.019
12	H	0.483
13	H	0.045

	x	y	z	Total
	-1.148	1.504	0.000	1.891
CHELPG
AIM
ESP

All results from a given calculation for HCONH₂CN₂H₄ (formamide aminomethanimine dimer)

using model chemistry: B3LYP_cp/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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for HCONH2CN2H4 (formamide aminomethanimine dimer)

using model chemistry: B3LYP_cp/aug-cc-pVTZ

States and conformations

All results from a given calculation for HCONH₂CN₂H₄ (formamide aminomethanimine dimer)