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	hartrees
Energy at 0K	-169.077685
Energy at 298.15K	-169.081388
HF Energy	-168.736183
Nuclear repulsion energy	69.063051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	11.12
2	A'	3062	3062	2.68
3	A'	1601	1601	12.66
4	A'	1527	1527	20.73
5	A'	1455	1455	18.97
6	A'	1180	1180	14.56
7	A'	873	873	9.58
8	A'	573	573	2.89
9	A"	3156	3156	7.01
10	A"	1527	1527	12.52
11	A"	1032	1032	2.71
12	A"	155	155	2.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.974	-0.567	0.000
N2	0.000	0.581	0.000
O3	1.187	0.221	0.000
H4	-0.448	-1.530	0.000
H5	-1.604	-0.454	0.891
H6	-1.604	-0.454	-0.891

	C1	N2	O3	H4	H5	H6
C1		1.5054	2.3001	1.0973	1.0976	1.0976
N2	1.5054		1.2409	2.1584	2.1072	2.1072
O3	2.3001	1.2409		2.3959	3.0071	3.0071
H4	1.0973	2.1584	2.3959		1.8133	1.8133
H5	1.0976	2.1072	3.0071	1.8133		1.7828
H6	1.0976	2.1072	3.0071	1.8133	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.411	N2	C1	H4	111.084
N2	C1	H5	107.063	N2	C1	H6	107.063
H4	C1	H5	111.408	H4	C1	H6	111.408
H5	C1	H6	108.609

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)