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	hartrees
Energy at 0K	-169.551426
Energy at 298.15K	-169.555175
HF Energy	-168.894819
Nuclear repulsion energy	71.133447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	2983	8.36
2	A'	3102	2893	2.46
3	A'	1770	1650	46.58
4	A'	1497	1396	20.29
5	A'	1418	1322	15.04
6	A'	1190	1109	13.90
7	A'	920	858	10.60
8	A'	598	558	2.98
9	A"	3175	2961	3.76
10	A"	1498	1397	10.73
11	A"	1004	936	2.85
12	A"	164	153	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.935	-0.566	0.000
N2	0.000	0.567	0.000
O3	1.143	0.233	0.000
H4	-0.405	-1.511	0.000
H5	-1.566	-0.460	0.876
H6	-1.566	-0.460	-0.876

	C1	N2	O3	H4	H5	H6
C1		1.4689	2.2268	1.0832	1.0847	1.0847
N2	1.4689		1.1910	2.1167	2.0674	2.0674
O3	2.2268	1.1910		2.3322	2.9308	2.9308
H4	1.0832	2.1167	2.3322		1.7943	1.7943
H5	1.0847	2.0674	2.9308	1.7943		1.7513
H6	1.0847	2.0674	2.9308	1.7943	1.7513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.271	N2	C1	H4	111.174
N2	C1	H5	107.156	N2	C1	H6	107.156
H4	C1	H5	111.722	H4	C1	H6	111.722
H5	C1	H6	107.663

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)