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	hartrees
Energy at 0K	-259.531920
Energy at 298.15K
HF Energy	-259.064657
Nuclear repulsion energy	159.376223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3384	3148	4.40
2	A₁	1456	1354	9.77
3	A₁	1360	1265	7.60
4	A₁	1055	981	0.33
5	A₁	987	919	3.22
6	A₁	863	803	17.24
7	A₂	964	897	0.00
8	A₂	671	624	0.00
9	B₁	919	855	46.95
10	B₁	593	552	0.58
11	B₂	3367	3133	0.01
12	B₂	1606	1495	6.22
13	B₂	1271	1183	10.20
14	B₂	1008	938	13.57
15	B₂	891	830	0.95

Atom	y (Å)	z (Å)
O1	0.000	1.179
N2	1.180	0.334
N3	-1.180	0.334
C4	0.722	-0.886
C5	-0.722	-0.886
H6	1.378	-1.734
H7	-1.378	-1.734

	O1	N2	N3	C4	C5	H6	H7
O1		1.4514	1.4514	2.1879	2.1879	3.2229	3.2229
N2	1.4514		2.3599	1.3035	2.2595	2.0778	3.2896
N3	1.4514	2.3599		2.2595	1.3035	3.2896	2.0778
C4	2.1879	1.3035	2.2595		1.4433	1.0724	2.2645
C5	2.1879	2.2595	1.3035	1.4433		2.2645	1.0724
H6	3.2229	2.0778	3.2896	1.0724	2.2645		2.7562
H7	3.2229	3.2896	2.0778	2.2645	1.0724	2.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.030	O1	N3	C5	105.030
N2	O1	N3	108.774	N2	C4	C5	110.583
N2	C4	H6	121.671	N3	C5	C4	110.583
N3	C5	H7	121.671	C4	C5	H7	127.746
C5	C4	H6	127.746

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)