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	hartrees
Energy at 0K	-169.542155
Energy at 298.15K	-169.545873
HF Energy	-168.891872
Nuclear repulsion energy	70.573669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3037	7.03
2	A'	3091	2934	2.17
3	A'	1565	1486	17.51
4	A'	1481	1406	23.26
5	A'	1392	1321	23.03
6	A'	1169	1110	13.92
7	A'	906	860	14.30
8	A'	584	554	2.11
9	A"	3180	3019	1.95
10	A"	1489	1413	11.09
11	A"	989	939	2.81
12	A"	159	151	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.949	-0.549	0.000
N2	0.000	0.571	0.000
O3	1.160	0.208	0.000
H4	-0.430	-1.501	0.000
H5	-1.578	-0.431	0.876
H6	-1.578	-0.431	-0.876

	C1	N2	O3	H4	H5	H6
C1		1.4673	2.2397	1.0841	1.0853	1.0853
N2	1.4673		1.2152	2.1159	2.0641	2.0641
O3	2.2397	1.2152		2.3339	2.9445	2.9445
H4	1.0841	2.1159	2.3339		1.7975	1.7975
H5	1.0853	2.0641	2.9445	1.7975		1.7524
H6	1.0853	2.0641	2.9445	1.7975	1.7524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.885	N2	C1	H4	111.168
N2	C1	H5	106.968	N2	C1	H6	106.968
H4	C1	H5	111.898	H4	C1	H6	111.898
H5	C1	H6	107.665

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/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 CH3NO (nitrosomethane)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)