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	hartrees
Energy at 0K	-169.438604
Energy at 298.15K	-169.442308
HF Energy	-168.843561
Nuclear repulsion energy	70.328949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3042	5.21
2	A'	3108	2921	1.18
3	A'	1569	1475	13.64
4	A'	1491	1402	20.68
5	A'	1405	1320	21.78
6	A'	1178	1107	11.14
7	A'	910	855	14.38
8	A'	585	550	2.07
9	A"	3218	3024	1.33
10	A"	1496	1406	9.52
11	A"	1000	940	1.41
12	A"	150	141	1.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.951	-0.550	0.000
N2	0.000	0.576	0.000
O3	1.162	0.205	0.000
H4	-0.429	-1.505	0.000
H5	-1.583	-0.435	0.879
H6	-1.583	-0.435	-0.879

	C1	N2	O3	H4	H5	H6
C1		1.4732	2.2436	1.0882	1.0894	1.0894
N2	1.4732		1.2199	2.1242	2.0738	2.0738
O3	2.2436	1.2199		2.3356	2.9529	2.9529
H4	1.0882	2.1242	2.3356		1.8031	1.8031
H5	1.0894	2.0738	2.9529	1.8031		1.7588
H6	1.0894	2.0738	2.9529	1.8031	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.493	N2	C1	H4	111.164
N2	C1	H5	107.093	N2	C1	H6	107.093
H4	C1	H5	111.786	H4	C1	H6	111.786
H5	C1	H6	107.660

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)