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	hartrees
Energy at 0K	-260.938729
Energy at 298.15K
HF Energy	-260.389293
Nuclear repulsion energy	158.697425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	3329	2.58
2	A₁	1465	1465	12.48
3	A₁	1336	1336	7.07
4	A₁	1065	1065	0.01
5	A₁	958	958	1.33
6	A₁	787	787	24.02
7	A₂	848	848	0.00
8	A₂	634	634	0.00
9	B₁	858	858	47.07
10	B₁	584	584	0.59
11	B₂	3314	3314	0.01
12	B₂	1594	1594	5.16
13	B₂	1240	1240	8.58
14	B₂	980	980	11.04
15	B₂	768	768	2.14

Atom	y (Å)	z (Å)
O1	0.000	1.177
N2	1.181	0.344
N3	-1.181	0.344
C4	0.725	-0.895
C5	-0.725	-0.895
H6	1.400	-1.740
H7	-1.400	-1.740

	O1	N2	N3	C4	C5	H6	H7
O1		1.4457	1.4457	2.1955	2.1955	3.2350	3.2350
N2	1.4457		2.3626	1.3204	2.2735	2.0945	3.3169
N3	1.4457	2.3626		2.2735	1.3204	3.3169	2.0945
C4	2.1955	1.3204	2.2735		1.4497	1.0808	2.2862
C5	2.1955	2.2735	1.3204	1.4497		2.2862	1.0808
H6	3.2350	2.0945	3.3169	1.0808	2.2862		2.7997
H7	3.2350	3.3169	2.0945	2.2862	1.0808	2.7997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.978	O1	N3	C5	104.978
N2	O1	N3	109.596	N2	C4	C5	110.223
N2	C4	H6	121.130	N3	C5	C4	110.223
N3	C5	H7	121.130	C4	C5	H7	128.647
C5	C4	H6	128.647

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3=FULL/6-31G

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: MP3=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)