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	hartrees
Energy at 0K	-261.458903
Energy at 298.15K
HF Energy	-260.624283
Nuclear repulsion energy	163.435731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3324	3175	0.46
2	A₁	1499	1432	15.12
3	A₁	1368	1307	5.91
4	A₁	1070	1022	0.63
5	A₁	1033	986	17.06
6	A₁	892	852	28.16
7	A₂	782	747	0.00
8	A₂	594	568	0.00
9	B₁	845	807	39.69
10	B₁	618	590	0.80
11	B₂	3310	3162	0.06
12	B₂	1622	1549	0.04
13	B₂	1235	1179	4.41
14	B₂	965	922	17.60
15	B₂	912	871	0.23

Atom	y (Å)	z (Å)
O1	0.000	1.128
N2	1.133	0.351
N3	-1.133	0.351
C4	0.713	-0.878
C5	-0.713	-0.878
H6	1.405	-1.703
H7	-1.405	-1.703

	O1	N2	N3	C4	C5	H6	H7
O1		1.3739	1.3739	2.1293	2.1293	3.1602	3.1602
N2	1.3739		2.2667	1.2994	2.2187	2.0720	3.2654
N3	1.3739	2.2667		2.2187	1.2994	3.2654	2.0720
C4	2.1293	1.2994	2.2187		1.4268	1.0761	2.2732
C5	2.1293	2.2187	1.2994	1.4268		2.2732	1.0761
H6	3.1602	2.0720	3.2654	1.0761	2.2732		2.8101
H7	3.1602	3.2654	2.0720	2.2732	1.0761	2.8101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.564	O1	N3	C5	105.564
N2	O1	N3	111.159	N2	C4	C5	108.857
N2	C4	H6	121.149	N3	C5	C4	108.857
N3	C5	H7	121.149	C4	C5	H7	129.994
C5	C4	H6	129.994

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)