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	hartrees
Energy at 0K	-261.400444
Energy at 298.15K
HF Energy	-260.582710
Nuclear repulsion energy	162.929080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	916	916	22.68
2	?_a	915	915	0.00
3	A₁	3309	3309	0.46
4	A₁	1488	1488	19.58
5	A₁	1358	1358	2.44
6	A₁	1065	1065	4.18
7	A₁	1044	1044	20.45
8	A₂	649	649	0.00
9	B₁	866	866	37.85
10	B₁	642	642	1.30
11	B₂	3295	3295	0.10
12	B₂	1606	1606	0.03
13	B₂	1211	1211	3.54
14	B₂	989	989	5.19
15	B₂	964	964	13.61

Atom	y (Å)	z (Å)
O1	0.000	1.127
N2	1.132	0.360
N3	-1.132	0.360
C4	0.717	-0.886
C5	-0.717	-0.886
H6	1.423	-1.712
H7	-1.423	-1.712

	O1	N2	N3	C4	C5	H6	H7
O1		1.3672	1.3672	2.1366	2.1366	3.1759	3.1759
N2	1.3672		2.2632	1.3126	2.2291	2.0925	3.2892
N3	1.3672	2.2632		2.2291	1.3126	3.2892	2.0925
C4	2.1366	1.3126	2.2291		1.4342	1.0870	2.2941
C5	2.1366	2.2291	1.3126	1.4342		2.2941	1.0870
H6	3.1759	2.0925	3.2892	1.0870	2.2941		2.8458
H7	3.1759	3.2892	2.0925	2.2941	1.0870	2.8458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.727	O1	N3	C5	105.727
N2	O1	N3	111.727	N2	C4	C5	108.410
N2	C4	H6	121.100	N3	C5	C4	108.410
N3	C5	H7	121.100	C4	C5	H7	130.491
C5	C4	H6	130.491

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/daug-cc-pVDZ

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: CCD/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)