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	hartrees
Energy at 0K	-261.543701
Energy at 298.15K
HF Energy	-260.625183
Nuclear repulsion energy	163.821296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3328	3153	0.55
2	A₁	1499	1420	15.82
3	A₁	1374	1302	4.54
4	A₁	1075	1018	1.15
5	A₁	1046	991	20.32
6	A₁	910	862	28.41
7	A₂	789	748	0.00
8	A₂	600	569	0.00
9	B₁	849	804	39.76
10	B₁	625	593	0.76
11	B₂	3314	3140	0.09
12	B₂	1625	1540	0.12
13	B₂	1239	1174	4.17
14	B₂	971	920	17.62
15	B₂	938	889	0.03

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.129	0.352
N3	-1.129	0.352
C4	0.712	-0.877
C5	-0.712	-0.877
H6	1.405	-1.700
H7	-1.405	-1.700

	O1	N2	N3	C4	C5	H6	H7
O1		1.3680	1.3680	2.1249	2.1249	3.1544	3.1544
N2	1.3680		2.2584	1.2985	2.2142	2.0706	3.2606
N3	1.3680	2.2584		2.2142	1.2985	3.2606	2.0706
C4	2.1249	1.2985	2.2142		1.4243	1.0751	2.2709
C5	2.1249	2.2142	1.2985	1.4243		2.2709	1.0751
H6	3.1544	2.0706	3.2606	1.0751	2.2709		2.8091
H7	3.1544	3.2606	2.0706	2.2709	1.0751	2.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.635	O1	N3	C5	105.635
N2	O1	N3	111.263	N2	C4	C5	108.734
N2	C4	H6	121.172	N3	C5	C4	108.734
N3	C5	H7	121.172	C4	C5	H7	130.094
C5	C4	H6	130.094

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)