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	hartrees
Energy at 0K	-261.593593
Energy at 298.15K
HF Energy	-260.632719
Nuclear repulsion energy	163.515527

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	3325	3157	1.38	96.12	0.10	0.18
2	A₁	1429	1356	26.28	6.48	0.75	0.86
3	A₁	1288	1223	1.09	19.67	0.07	0.12
4	A₁	1089	1034	0.28	6.95	0.31	0.48
5	A₁	1046	993	17.05	7.47	0.19	0.32
6	A₁	919	872	10.62	4.45	0.13	0.23
7	A₂	907	861	0.00	0.09	0.75	0.86
8	A₂	657	624	0.00	0.36	0.75	0.86
9	B₁	859	815	40.93	0.09	0.75	0.86
10	B₁	670	637	1.90	0.12	0.75	0.86
11	B₂	3309	3142	1.11	49.95	0.75	0.86
12	B₂	1499	1424	0.36	0.80	0.75	0.86
13	B₂	1186	1126	5.66	0.01	0.75	0.86
14	B₂	969	920	14.88	2.02	0.75	0.86
15	B₂	944	896	2.39	2.06	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.122
N2	1.130	0.364
N3	-1.130	0.364
C4	0.700	-0.889
C5	-0.700	-0.889
H6	1.402	-1.702
H7	-1.402	-1.702

	O1	N2	N3	C4	C5	H6	H7
O1		1.3609	1.3609	2.1296	2.1296	3.1536	3.1536
N2	1.3609		2.2598	1.3244	2.2176	2.0841	3.2681
N3	1.3609	2.2598		2.2176	1.3244	3.2681	2.0841
C4	2.1296	1.3244	2.2176		1.4001	1.0746	2.2541
C5	2.1296	2.2176	1.3244	1.4001		2.2541	1.0746
H6	3.1536	2.0841	3.2681	1.0746	2.2541		2.8042
H7	3.1536	3.2681	2.0841	2.2541	1.0746	2.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.934	O1	N3	C5	104.934
N2	O1	N3	112.252	N2	C4	C5	108.940
N2	C4	H6	120.268	N3	C5	C4	108.940
N3	C5	H7	120.268	C4	C5	H7	130.792
C5	C4	H6	130.792

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/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: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)