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	hartrees
Energy at 0K	-169.101348
Energy at 298.15K	-169.104967
HF Energy	-168.762141
Nuclear repulsion energy	67.264897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3042	17.87
2	A'	3024	2912	9.19
3	A'	1507	1452	19.68
4	A'	1435	1382	8.52
5	A'	1286	1238	8.79
6	A'	1138	1096	16.02
7	A'	848	817	11.63
8	A'	534	514	2.02
9	A"	3152	3035	14.33
10	A"	1503	1447	15.78
11	A"	1007	970	2.96
12	A"	143	137	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	-1.011	-0.540	0.000
N2	0.000	0.603	0.000
O3	1.232	0.169	0.000
H4	-0.508	-1.521	0.000
H5	-1.640	-0.410	0.896
H6	-1.640	-0.410	-0.896

	C1	N2	O3	H4	H5	H6
C1		1.5258	2.3517	1.1030	1.1026	1.1026
N2	1.5258		1.3058	2.1848	2.1259	2.1259
O3	2.3517	1.3058		2.4261	3.0632	3.0632
H4	1.1030	2.1848	2.4261		1.8215	1.8215
H5	1.1026	2.1259	3.0632	1.8215		1.7927
H6	1.1026	2.1259	3.0632	1.8215	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.073	N2	C1	H4	111.411
N2	C1	H5	106.861	N2	C1	H6	106.861
H4	C1	H5	111.358	H4	C1	H6	111.358
H5	C1	H6	108.775

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)