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	hartrees
Energy at 0K	-259.624333
Energy at 298.15K
HF Energy	-259.057170
Nuclear repulsion energy	156.634963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3145	2.33
2	A₁	1379	1325	13.34
3	A₁	1295	1244	5.59
4	A₁	1014	974	0.55
5	A₁	915	879	0.48
6	A₁	786	756	5.96
7	A₂	891	857	0.00
8	A₂	629	604	0.00
9	B₁	862	828	45.33
10	B₁	554	532	0.57
11	B₂	3256	3129	0.15
12	B₂	1509	1451	6.62
13	B₂	1218	1170	9.46
14	B₂	949	912	12.32
15	B₂	766	736	0.10

Atom	y (Å)	z (Å)
O1	0.000	1.206
N2	1.209	0.331
N3	-1.209	0.331
C4	0.726	-0.897
C5	-0.726	-0.897
H6	1.381	-1.758
H7	-1.381	-1.758

	O1	N2	N3	C4	C5	H6	H7
O1		1.4929	1.4929	2.2254	2.2254	3.2696	3.2696
N2	1.4929		2.4189	1.3200	2.2926	2.0956	3.3273
N3	1.4929	2.4189		2.2926	1.3200	3.3273	2.0956
C4	2.2254	1.3200	2.2926		1.4525	1.0809	2.2758
C5	2.2254	2.2926	1.3200	1.4525		2.2758	1.0809
H6	3.2696	2.0956	3.3273	1.0809	2.2758		2.7615
H7	3.2696	3.3273	2.0956	2.2758	1.0809	2.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.418	O1	N3	C5	104.418
N2	O1	N3	108.220	N2	C4	C5	111.472
N2	C4	H6	121.263	N3	C5	C4	111.472
N3	C5	H7	121.263	C4	C5	H7	127.265
C5	C4	H6	127.265

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)