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	hartrees
Energy at 0K	-261.485805
Energy at 298.15K
HF Energy	-260.568521
Nuclear repulsion energy	163.840338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3332	3157	0.79
2	A₁	1503	1424	11.85
3	A₁	1369	1297	7.07
4	A₁	1073	1016	2.49
5	A₁	1050	995	15.46
6	A₁	916	868	20.54
7	A₂	926	877	0.00
8	A₂	658	623	0.00
9	B₁	886	840	30.48
10	B₁	650	616	1.46
11	B₂	3317	3143	0.25
12	B₂	1625	1539	0.25
13	B₂	1228	1164	3.98
14	B₂	971	920	20.06
15	B₂	952	902	4.12

Atom	y (Å)	z (Å)
O1	0.000	1.123
N2	1.127	0.355
N3	-1.127	0.355
C4	0.713	-0.879
C5	-0.713	-0.879
H6	1.409	-1.701
H7	-1.409	-1.701

	O1	N2	N3	C4	C5	H6	H7
O1		1.3639	1.3639	2.1254	2.1254	3.1559	3.1559
N2	1.3639		2.2538	1.3016	2.2153	2.0748	3.2645
N3	1.3639	2.2538		2.2153	1.3016	3.2645	2.0748
C4	2.1254	1.3016	2.2153		1.4258	1.0770	2.2757
C5	2.1254	2.2153	1.3016	1.4258		2.2757	1.0770
H6	3.1559	2.0748	3.2645	1.0770	2.2757		2.8187
H7	3.1559	3.2645	2.0748	2.2757	1.0770	2.8187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.738	O1	N3	C5	105.738
N2	O1	N3	111.431	N2	C4	C5	108.547
N2	C4	H6	121.160	N3	C5	C4	108.547
N3	C5	H7	121.160	C4	C5	H7	130.293
C5	C4	H6	130.293

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)