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	hartrees
Energy at 0K	-261.597012
Energy at 298.15K
HF Energy	-260.647907
Nuclear repulsion energy	164.237158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3317	3317	0.58
2	A₁	1502	1502	15.40
3	A₁	1373	1373	4.56
4	A₁	1071	1071	3.52
5	A₁	1052	1052	19.54
6	A₁	920	920	23.63
7	A₂	916	916	0.00
8	A₂	658	658	0.00
9	B₁	882	882	38.14
10	B₁	651	651	1.51
11	B₂	3303	3303	0.14
12	B₂	1624	1624	0.09
13	B₂	1229	1229	3.30
14	B₂	973	973	21.29
15	B₂	956	956	0.71

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.124	0.354
N3	-1.124	0.354
C4	0.712	-0.877
C5	-0.712	-0.877
H6	1.407	-1.696
H7	-1.407	-1.696

	O1	N2	N3	C4	C5	H6	H7
O1		1.3606	1.3606	2.1211	2.1211	3.1491	3.1491
N2	1.3606		2.2470	1.2977	2.2098	2.0693	3.2567
N3	1.3606	2.2470		2.2098	1.2977	3.2567	2.0693
C4	2.1211	1.2977	2.2098		1.4237	1.0744	2.2718
C5	2.1211	2.2098	1.2977	1.4237		2.2718	1.0744
H6	3.1491	2.0693	3.2567	1.0744	2.2718		2.8142
H7	3.1491	3.2567	2.0693	2.2718	1.0744	2.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.842	O1	N3	C5	105.842
N2	O1	N3	111.327	N2	C4	C5	108.495
N2	C4	H6	121.183	N3	C5	C4	108.495
N3	C5	H7	121.183	C4	C5	H7	130.322
C5	C4	H6	130.322

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)