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	hartrees
Energy at 0K	-168.209959
Energy at 298.15K	-168.213500
HF Energy	-167.851415
Nuclear repulsion energy	67.137223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3035	8.01
2	A'	3093	2932	1.88
3	A'	1566	1484	12.87
4	A'	1439	1364	10.27
5	A'	1177	1115	6.62
6	A'	1098	1041	16.47
7	A'	785	745	14.55
8	A'	536	508	1.99
9	A"	3183	3018	7.35
10	A"	1569	1488	9.55
11	A"	1012	959	1.11
12	A"	111	105	2.05

Atom	x (Å)	y (Å)	z (Å)
C1	-1.011	-0.535	0.000
N2	0.000	0.627	0.000
O3	1.226	0.143	0.000
H4	-0.475	-1.486	0.000
H5	-1.633	-0.419	0.891
H6	-1.633	-0.419	-0.891

	C1	N2	O3	H4	H5	H6
C1		1.5406	2.3373	1.0914	1.0930	1.0930
N2	1.5406		1.3179	2.1661	2.1345	2.1345
O3	2.3373	1.3179		2.3552	3.0470	3.0470
H4	1.0914	2.1661	2.3552		1.8094	1.8094
H5	1.0930	2.1345	3.0470	1.8094		1.7820
H6	1.0930	2.1345	3.0470	1.8094	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	109.458	N2	C1	H4	109.582
N2	C1	H5	107.060	N2	C1	H6	107.060
H4	C1	H5	111.852	H4	C1	H6	111.852
H5	C1	H6	109.211

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)