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	hartrees
Energy at 0K	-261.715962
Energy at 298.15K
HF Energy	-260.635890
Nuclear repulsion energy	163.646078

Atom	y (Å)	z (Å)
O1	0.000	1.127
N2	1.131	0.354
N3	-1.131	0.354
C4	0.709	-0.880
C5	-0.709	-0.880
H6	1.397	-1.701
H7	-1.397	-1.701

	O1	N2	N3	C4	C5	H6	H7
O1		1.3699	1.3699	2.1282	2.1282	3.1539	3.1539
N2	1.3699		2.2622	1.3041	2.2153	2.0719	3.2577
N3	1.3699	2.2622		2.2153	1.3041	3.2577	2.0719
C4	2.1282	1.3041	2.2153		1.4176	1.0712	2.2601
C5	2.1282	2.2153	1.3041	1.4176		2.2601	1.0712
H6	3.1539	2.0719	3.2577	1.0712	2.2601		2.7939
H7	3.1539	3.2577	2.0719	2.2601	1.0712	2.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.453	O1	N3	C5	105.453
N2	O1	N3	111.308	N2	C4	C5	108.893
N2	C4	H6	121.135	N3	C5	C4	108.893
N3	C5	H7	121.135	C4	C5	H7	129.971
C5	C4	H6	129.971

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)=FULL/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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: QCISD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)