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	hartrees
Energy at 0K	-261.460595
Energy at 298.15K
HF Energy	-260.576413
Nuclear repulsion energy	161.424555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3287	3189
2	A₁	1453	1409
3	A₁	1318	1279
4	A₁	1048	1017
5	A₁	993	963
6	A₁	857	831
7	A₂	835	810
8	A₂	625	606
9	B₁	832	807
10	B₁	620	602
11	B₂	3272	3174
12	B₂	1552	1506
13	B₂	1175	1140
14	B₂	942	914
15	B₂	819	794

Atom	y (Å)	z (Å)
O1	0.000	1.141
N2	1.148	0.358
N3	-1.148	0.358
C4	0.719	-0.891
C5	-0.719	-0.891
H6	1.422	-1.722
H7	-1.422	-1.722

	O1	N2	N3	C4	C5	H6	H7
O1		1.3899	1.3899	2.1550	2.1550	3.1967	3.1967
N2	1.3899		2.2964	1.3203	2.2458	2.0976	3.3064
N3	1.3899	2.2964		2.2458	1.3203	3.3064	2.0976
C4	2.1550	1.3203	2.2458		1.4372	1.0890	2.2966
C5	2.1550	2.2458	1.3203	1.4372		2.2966	1.0890
H6	3.1967	2.0976	3.3064	1.0890	2.2966		2.8446
H7	3.1967	3.3064	2.0976	2.2966	1.0890	2.8446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.309	O1	N3	C5	105.309
N2	O1	N3	111.404	N2	C4	C5	108.989
N2	C4	H6	120.757	N3	C5	C4	108.989
N3	C5	H7	120.757	C4	C5	H7	130.255
C5	C4	H6	130.255

All results from a given calculation for C₂H₂N₂O (Furazan)

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

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)