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	hartrees
Energy at 0K	-261.600297
Energy at 298.15K
HF Energy	-260.647384
Nuclear repulsion energy	163.989900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3314	0.51
2	A₁	1505	1505	14.46
3	A₁	1368	1368	5.80
4	A₁	1067	1067	1.84
5	A₁	1042	1042	17.83
6	A₁	906	906	23.76
7	A₂	915	915	0.00
8	A₂	655	655	0.00
9	B₁	881	881	37.87
10	B₁	646	646	1.58
11	B₂	3299	3299	0.11
12	B₂	1624	1624	0.03
13	B₂	1226	1226	3.52
14	B₂	968	968	21.13
15	B₂	934	934	1.06

Atom	y (Å)	z (Å)
O1	0.000	1.123
N2	1.127	0.352
N3	-1.127	0.352
C4	0.713	-0.877
C5	-0.713	-0.877
H6	1.407	-1.698
H7	-1.407	-1.698

	O1	N2	N3	C4	C5	H6	H7
O1		1.3652	1.3652	2.1236	2.1236	3.1523	3.1523
N2	1.3652		2.2535	1.2974	2.2125	2.0692	3.2590
N3	1.3652	2.2535		2.2125	1.2974	3.2590	2.0692
C4	2.1236	1.2974	2.2125		1.4253	1.0747	2.2725
C5	2.1236	2.2125	1.2974	1.4253		2.2725	1.0747
H6	3.1523	2.0692	3.2590	1.0747	2.2725		2.8131
H7	3.1523	3.2590	2.0692	2.2725	1.0747	2.8131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.766	O1	N3	C5	105.766
N2	O1	N3	111.243	N2	C4	C5	108.613
N2	C4	H6	121.171	N3	C5	C4	108.613
N3	C5	H7	121.171	C4	C5	H7	130.216
C5	C4	H6	130.216

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)