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	hartrees
Energy at 0K	-261.459383
Energy at 298.15K
HF Energy	-260.596302
Nuclear repulsion energy	162.703907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3272	3150
2	A₁	1454	1400
3	A₁	1336	1286
4	A₁	1058	1019
5	A₁	1025	987
6	A₁	894	861
7	A₂	835	804
8	A₂	632	609
9	B₁	833	802
10	B₁	633	610
11	B₂	3258	3137
12	B₂	1566	1507
13	B₂	1193	1148
14	B₂	959	923
15	B₂	882	849

Atom	y (Å)	z (Å)
O1	0.000	1.129
N2	1.137	0.358
N3	-1.137	0.358
C4	0.715	-0.886
C5	-0.715	-0.886
H6	1.417	-1.710
H7	-1.417	-1.710

	O1	N2	N3	C4	C5	H6	H7
O1		1.3735	1.3735	2.1381	2.1381	3.1737	3.1737
N2	1.3735		2.2734	1.3134	2.2308	2.0875	3.2867
N3	1.3735	2.2734		2.2308	1.3134	3.2867	2.0875
C4	2.1381	1.3134	2.2308		1.4303	1.0831	2.2864
C5	2.1381	2.2308	1.3134	1.4303		2.2864	1.0831
H6	3.1737	2.0875	3.2867	1.0831	2.2864		2.8348
H7	3.1737	3.2867	2.0875	2.2864	1.0831	2.8348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.429	O1	N3	C5	105.429
N2	O1	N3	111.700	N2	C4	C5	108.721
N2	C4	H6	120.860	N3	C5	C4	108.721
N3	C5	H7	120.860	C4	C5	H7	130.419
C5	C4	H6	130.419

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)