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	hartrees
Energy at 0K	-261.449205
Energy at 298.15K
HF Energy	-260.644878
Nuclear repulsion energy	166.232920

Atom	y (Å)	z (Å)
O1	0.000	1.105
N2	1.105	0.353
N3	-1.105	0.353
C4	0.708	-0.869
C5	-0.708	-0.869
H6	1.402	-1.680
H7	-1.402	-1.680

	O1	N2	N3	C4	C5	H6	H7
O1		1.3371	1.3371	2.0970	2.0970	3.1179	3.1179
N2	1.3371		2.2107	1.2844	2.1865	2.0539	3.2277
N3	1.3371	2.2107		2.1865	1.2844	3.2277	2.0539
C4	2.0970	1.2844	2.1865		1.4163	1.0674	2.2608
C5	2.0970	2.1865	1.2844	1.4163		2.2608	1.0674
H6	3.1179	2.0539	3.2277	1.0674	2.2608		2.8044
H7	3.1179	3.2277	2.0539	2.2608	1.0674	2.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.230	O1	N3	C5	106.230
N2	O1	N3	111.514	N2	C4	C5	108.014
N2	C4	H6	121.430	N3	C5	C4	108.014
N3	C5	H7	121.430	C4	C5	H7	130.557
C5	C4	H6	130.557

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CISD/daug-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: CISD/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)