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	hartrees
Energy at 0K	-261.589642
Energy at 298.15K
HF Energy	-260.637869
Nuclear repulsion energy	164.191717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3120	0.49
2	A₁	1504	1416	15.11
3	A₁	1372	1291	4.63
4	A₁	1071	1008	3.78
5	A₁	1052	991	18.77
6	A₁	922	868	22.88
7	A₂	930	875	0.00
8	A₂	662	624	0.00
9	B₁	885	833	37.66
10	B₁	653	614	1.46
11	B₂	3301	3107	0.09
12	B₂	1627	1531	0.16
13	B₂	1228	1156	3.53
14	B₂	975	918	22.01
15	B₂	958	902	0.55

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.124	0.354
N3	-1.124	0.354
C4	0.712	-0.877
C5	-0.712	-0.877
H6	1.406	-1.697
H7	-1.406	-1.697

	O1	N2	N3	C4	C5	H6	H7
O1		1.3610	1.3610	2.1214	2.1214	3.1495	3.1495
N2	1.3610		2.2483	1.2984	2.2104	2.0702	3.2572
N3	1.3610	2.2483		2.2104	1.2984	3.2572	2.0702
C4	2.1214	1.2984	2.2104		1.4233	1.0744	2.2711
C5	2.1214	2.2104	1.2984	1.4233		2.2711	1.0744
H6	3.1495	2.0702	3.2572	1.0744	2.2711		2.8126
H7	3.1495	3.2572	2.0702	2.2711	1.0744	2.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.793	O1	N3	C5	105.793
N2	O1	N3	111.371	N2	C4	C5	108.522
N2	C4	H6	121.201	N3	C5	C4	108.522
N3	C5	H7	121.201	C4	C5	H7	130.278
C5	C4	H6	130.278

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)