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	hartrees
Energy at 0K	-261.316880
Energy at 298.15K
HF Energy	-260.536639
Nuclear repulsion energy	162.510258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3342	3151	1.42	88.16	0.10	0.18
2	A₁	1449	1367	27.18	8.67	0.74	0.85
3	A₁	1305	1231	0.58	14.63	0.11	0.20
4	A₁	1110	1047	0.26	7.15	0.42	0.59
5	A₁	1036	977	15.13	6.30	0.25	0.40
6	A₁	920	868	11.61	5.49	0.13	0.23
7	A₂	845	796	0.00	1.29	0.75	0.86
8	A₂	639	602	0.00	0.51	0.75	0.86
9	B₁	842	794	42.15	1.34	0.75	0.86
10	B₁	660	623	1.00	0.29	0.75	0.86
11	B₂	3328	3138	0.63	51.27	0.75	0.86
12	B₂	1520	1434	1.17	0.71	0.75	0.86
13	B₂	1206	1138	6.75	0.01	0.75	0.86
14	B₂	976	920	15.83	2.93	0.75	0.86
15	B₂	942	888	1.02	1.92	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.130
N2	1.140	0.363
N3	-1.140	0.363
C4	0.702	-0.892
C5	-0.702	-0.892
H6	1.405	-1.713
H7	-1.405	-1.713

	O1	N2	N3	C4	C5	H6	H7
O1		1.3741	1.3741	2.1404	2.1404	3.1710	3.1710
N2	1.3741		2.2807	1.3297	2.2295	2.0930	3.2845
N3	1.3741	2.2807		2.2295	1.3297	3.2845	2.0930
C4	2.1404	1.3297	2.2295		1.4042	1.0805	2.2611
C5	2.1404	2.2295	1.3297	1.4042		2.2611	1.0805
H6	3.1710	2.0930	3.2845	1.0805	2.2611		2.8094
H7	3.1710	3.2845	2.0930	2.2611	1.0805	2.8094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.667	O1	N3	C5	104.667
N2	O1	N3	112.178	N2	C4	C5	109.244
N2	C4	H6	120.197	N3	C5	C4	109.244
N3	C5	H7	120.197	C4	C5	H7	130.559
C5	C4	H6	130.559

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)