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	hartrees
Energy at 0K	-169.638458
Energy at 298.15K
HF Energy	-169.471051
Nuclear repulsion energy	70.069807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3200	10.53
2	A'	3078	3078	2.08
3	A'	1616	1616	42.99
4	A'	1490	1490	21.60
5	A'	1404	1404	17.44
6	A'	1171	1171	14.63
7	A'	867	867	18.71
8	A'	578	578	1.90
9	A"	3173	3173	5.15
10	A"	1495	1495	9.32
11	A"	987	987	1.88
12	A"	161	161	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.954	-0.561	0.000
N2	0.000	0.578	0.000
O3	1.165	0.217	0.000
H4	-0.427	-1.515	0.000
H5	-1.587	-0.447	0.881
H6	-1.587	-0.447	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4853	2.2571	1.0897	1.0915	1.0915
N2	1.4853		1.2199	2.1359	2.0844	2.0844
O3	2.2571	1.2199		2.3525	2.9652	2.9652
H4	1.0897	2.1359	2.3525		1.8069	1.8069
H5	1.0915	2.0844	2.9652	1.8069		1.7629
H6	1.0915	2.0844	2.9652	1.8069	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.729	N2	C1	H4	111.162
N2	C1	H5	106.987	N2	C1	H6	106.987
H4	C1	H5	111.863	H4	C1	H6	111.863
H5	C1	H6	107.707

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B2PLYP=FULLultrafine/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 CH3NO (nitrosomethane)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)