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	hartrees
Energy at 0K	-261.413481
Energy at 298.15K
HF Energy	-260.548743
Nuclear repulsion energy	162.004331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3335	3335
2	A₁	1474	1474
3	A₁	1343	1343
4	A₁	1072	1072
5	A₁	1003	1003
6	A₁	873	873
7	A₂	830	830
8	A₂	616	616
9	B₁	839	839
10	B₁	615	615
11	B₂	3321	3321
12	B₂	1583	1583
13	B₂	1215	1215
14	B₂	954	954
15	B₂	852	852

Atom	y (Å)	z (Å)
O1	0.000	1.139
N2	1.146	0.355
N3	-1.146	0.355
C4	0.714	-0.887
C5	-0.714	-0.887
H6	1.405	-1.713
H7	-1.405	-1.713

	O1	N2	N3	C4	C5	H6	H7
O1		1.3890	1.3890	2.1479	2.1479	3.1793	3.1793
N2	1.3890		2.2930	1.3149	2.2366	2.0840	3.2841
N3	1.3890	2.2930		2.2366	1.3149	3.2841	2.0840
C4	2.1479	1.3149	2.2366		1.4275	1.0772	2.2740
C5	2.1479	2.2366	1.3149	1.4275		2.2740	1.0772
H6	3.1793	2.0840	3.2841	1.0772	2.2740		2.8097
H7	3.1793	3.2841	2.0840	2.2740	1.0772	2.8097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.159	O1	N3	C5	105.159
N2	O1	N3	111.257	N2	C4	C5	109.213
N2	C4	H6	120.878	N3	C5	C4	109.213
N3	C5	H7	120.878	C4	C5	H7	129.909
C5	C4	H6	129.909

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)