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	hartrees
Energy at 0K	-169.308084
Energy at 298.15K	-169.311769
HF Energy	-168.823143
Nuclear repulsion energy	69.828170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3041	7.48
2	A'	3104	2924	1.62
3	A'	1554	1464	8.52
4	A'	1511	1424	18.40
5	A'	1431	1348	25.54
6	A'	1186	1117	11.40
7	A'	911	858	13.08
8	A'	586	552	2.05
9	A"	3208	3023	3.56
10	A"	1520	1432	10.30
11	A"	1010	952	1.93
12	A"	142	134	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.960	-0.544	0.000
N2	0.000	0.581	0.000
O3	1.173	0.194	0.000
H4	-0.440	-1.504	0.000
H5	-1.592	-0.425	0.885
H6	-1.592	-0.425	-0.885

	C1	N2	O3	H4	H5	H6
C1		1.4790	2.2576	1.0920	1.0933	1.0933
N2	1.4790		1.2353	2.1308	2.0803	2.0803
O3	2.2576	1.2353		2.3423	2.9682	2.9682
H4	1.0920	2.1308	2.3423		1.8091	1.8091
H5	1.0933	2.0803	2.9682	1.8091		1.7693
H6	1.0933	2.0803	2.9682	1.8091	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.254	N2	C1	H4	111.051
N2	C1	H5	106.991	N2	C1	H6	106.991
H4	C1	H5	111.763	H4	C1	H6	111.763
H5	C1	H6	108.030

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/6-31G*

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*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)