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	hartrees
Energy at 0K	-261.432907
Energy at 298.15K
HF Energy	-260.641232
Nuclear repulsion energy	166.267870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3411	3172	0.60
2	A₁	1572	1462	13.38
3	A₁	1433	1333	4.96
4	A₁	1126	1047	36.10
5	A₁	1103	1026	1.53
6	A₁	981	912	23.77
7	A₂	990	921	0.00
8	A₂	696	647	0.00
9	B₁	935	869	37.55
10	B₁	690	642	1.85
11	B₂	3397	3158	0.09
12	B₂	1712	1592	0.06
13	B₂	1285	1195	3.20
14	B₂	1073	998	0.72
15	B₂	1017	945	25.58

Atom	y (Å)	z (Å)
O1	0.000	1.105
N2	1.105	0.353
N3	-1.105	0.353
C4	0.708	-0.868
C5	-0.708	-0.868
H6	1.401	-1.680
H7	-1.401	-1.680

	O1	N2	N3	C4	C5	H6	H7
O1		1.3366	1.3366	2.0964	2.0964	3.1171	3.1171
N2	1.3366		2.2104	1.2845	2.1862	2.0543	3.2268
N3	1.3366	2.2104		2.1862	1.2845	3.2268	2.0543
C4	2.0964	1.2845	2.1862		1.4159	1.0669	2.2594
C5	2.0964	2.1862	1.2845	1.4159		2.2594	1.0669
H6	3.1171	2.0543	3.2268	1.0669	2.2594		2.8015
H7	3.1171	3.2268	2.0543	2.2594	1.0669	2.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.207	O1	N3	C5	106.207
N2	O1	N3	111.556	N2	C4	C5	108.015
N2	C4	H6	121.492	N3	C5	C4	108.015
N3	C5	H7	121.492	C4	C5	H7	130.493
C5	C4	H6	130.493

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)