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	hartrees
Energy at 0K	-261.693780
Energy at 298.15K
HF Energy	-260.648478
Nuclear repulsion energy	164.501263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3319	0.62
2	A₁	1504	1504	15.33
3	A₁	1376	1376	4.40
4	A₁	1073	1073	4.53
5	A₁	1058	1058	19.18
6	A₁	926	926	23.25
7	A₂	937	937	0.00
8	A₂	665	665	0.00
9	B₁	894	894	37.85
10	B₁	656	656	1.67
11	B₂	3304	3304	0.17
12	B₂	1627	1627	0.09
13	B₂	1233	1233	3.29
14	B₂	978	978	21.28
15	B₂	966	966	0.73

Atom	y (Å)	z (Å)
O1	0.000	1.119
N2	1.122	0.353
N3	-1.122	0.353
C4	0.711	-0.876
C5	-0.711	-0.876
H6	1.404	-1.693
H7	-1.404	-1.693

	O1	N2	N3	C4	C5	H6	H7
O1		1.3585	1.3585	2.1179	2.1179	3.1437	3.1437
N2	1.3585		2.2433	1.2955	2.2063	2.0656	3.2507
N3	1.3585	2.2433		2.2063	1.2955	3.2507	2.0656
C4	2.1179	1.2955	2.2063		1.4218	1.0720	2.2677
C5	2.1179	2.2063	1.2955	1.4218		2.2677	1.0720
H6	3.1437	2.0656	3.2507	1.0720	2.2677		2.8085
H7	3.1437	3.2507	2.0656	2.2677	1.0720	2.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.859	O1	N3	C5	105.859
N2	O1	N3	111.310	N2	C4	C5	108.486
N2	C4	H6	121.213	N3	C5	C4	108.486
N3	C5	H7	121.213	C4	C5	H7	130.301
C5	C4	H6	130.301

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)