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	hartrees
Energy at 0K	-169.370764
Energy at 298.15K	-169.374442
HF Energy	-168.865697
Nuclear repulsion energy	70.162901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3040	9.12
2	A'	3075	2922	2.97
3	A'	1568	1490	16.70
4	A'	1495	1421	23.01
5	A'	1414	1344	34.02
6	A'	1180	1122	15.31
7	A'	904	859	14.53
8	A'	591	562	1.54
9	A"	3183	3025	4.51
10	A"	1495	1420	14.11
11	A"	1006	956	3.33
12	A"	134	127	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.953	-0.556	0.000
N2	0.000	0.576	0.000
O3	1.164	0.212	0.000
H4	-0.426	-1.512	0.000
H5	-1.584	-0.440	0.884
H6	-1.584	-0.440	-0.884

	C1	N2	O3	H4	H5	H6
C1		1.4801	2.2523	1.0916	1.0924	1.0924
N2	1.4801		1.2197	2.1311	2.0792	2.0792
O3	2.2523	1.2197		2.3452	2.9595	2.9595
H4	1.0916	2.1311	2.3452		1.8091	1.8091
H5	1.0924	2.0792	2.9595	1.8091		1.7685
H6	1.0924	2.0792	2.9595	1.8091	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.720	N2	C1	H4	111.021
N2	C1	H5	106.883	N2	C1	H6	106.883
H4	C1	H5	111.853	H4	C1	H6	111.853
H5	C1	H6	108.081

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)