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	hartrees
Energy at 0K	-261.474602
Energy at 298.15K
HF Energy	-260.600224
Nuclear repulsion energy	162.735579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3287	3171
2	A₁	1450	1399
3	A₁	1334	1287
4	A₁	1056	1019
5	A₁	1025	988
6	A₁	893	862
7	A₂	852	821
8	A₂	630	608
9	B₁	841	811
10	B₁	633	611
11	B₂	3272	3157
12	B₂	1563	1508
13	B₂	1194	1151
14	B₂	957	923
15	B₂	885	854

Atom	y (Å)	z (Å)
O1	0.000	1.129
N2	1.137	0.359
N3	-1.137	0.359
C4	0.715	-0.886
C5	-0.715	-0.886
H6	1.416	-1.710
H7	-1.416	-1.710

	O1	N2	N3	C4	C5	H6	H7
O1		1.3728	1.3728	2.1376	2.1376	3.1720	3.1720
N2	1.3728		2.2730	1.3138	2.2309	2.0872	3.2851
N3	1.3728	2.2730		2.2309	1.3138	3.2851	2.0872
C4	2.1376	1.3138	2.2309		1.4301	1.0817	2.2845
C5	2.1376	2.2309	1.3138	1.4301		2.2845	1.0817
H6	3.1720	2.0872	3.2851	1.0817	2.2845		2.8313
H7	3.1720	3.2851	2.0872	2.2845	1.0817	2.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.409	O1	N3	C5	105.409
N2	O1	N3	111.758	N2	C4	C5	108.712
N2	C4	H6	120.920	N3	C5	C4	108.712
N3	C5	H7	120.920	C4	C5	H7	130.368
C5	C4	H6	130.368

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)/6-311G**

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(T)/6-311G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)