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	hartrees
Energy at 0K
Energy at 298.15K	0.086637
HF Energy	0.086637
Nuclear repulsion energy	103.891604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2763	2936	265.23
2	A₁	1510	1604	2.63
3	A₁	1244	1321	2.54
4	A₁	1138	1209	45.88
5	A₁	1064	1130	7.54
6	A₁	872	927	25.96
7	A₂	938	997	0.00
8	A₂	558	593	0.00
9	B₁	873	927	82.54
10	B₁	582	619	7.99
11	B₂	2753	2925	142.87
12	B₂	1600	1699	6.12
13	B₂	1163	1235	8.83
14	B₂	959	1019	25.91
15	B₂	853	907	8.05

Atom	y (Å)	z (Å)
O1	0.000	1.156
N2	1.130	0.367
N3	-1.130	0.367
C4	0.736	-0.903
C5	-0.736	-0.903
H6	1.381	-1.770
H7	-1.381	-1.770

	O1	N2	N3	C4	C5	H6	H7
O1		1.3780	1.3780	2.1867	2.1867	3.2352	3.2352
N2	1.3780		2.2595	1.3298	2.2568	2.1513	3.2968
N3	1.3780	2.2595		2.2568	1.3298	3.2968	2.1513
C4	2.1867	1.3298	2.2568		1.4716	1.0803	2.2873
C5	2.1867	2.2568	1.3298	1.4716		2.2873	1.0803
H6	3.2352	2.1513	3.2968	1.0803	2.2873		2.7620
H7	3.2352	3.2968	2.1513	2.2873	1.0803	2.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	107.699	O1	N3	C5	107.699
N2	O1	N3	110.136	N2	C4	C5	107.233
N2	C4	H6	126.095	N3	C5	C4	107.233
N3	C5	H7	126.095	C4	C5	H7	126.672
C5	C4	H6	126.672

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: PM6

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: PM6

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)