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	hartrees
Energy at 0K	-166.843528
Energy at 298.15K	-166.847047
HF Energy	-166.638376
Nuclear repulsion energy	66.401193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3156	1.13
2	A'	3353	2980	0.41
3	A'	1689	1502	3.65
4	A'	1549	1377	0.52
5	A'	1342	1193	3.66
6	A'	1174	1044	13.67
7	A'	944	839	10.91
8	A'	532	473	0.07
9	A"	3553	3159	0.29
10	A"	1688	1500	2.63
11	A"	1046	930	0.91
12	A"	132	117	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.010	-0.564	0.000
N2	0.000	0.646	0.000
O3	1.229	0.168	0.000
H4	-0.477	-1.533	0.000
H5	-1.646	-0.476	0.900
H6	-1.646	-0.476	-0.900

	C1	N2	O3	H4	H5	H6
C1		1.5764	2.3558	1.1064	1.1051	1.1051
N2	1.5764		1.3187	2.2308	2.1861	2.1861
O3	2.3558	1.3187		2.4089	3.0803	3.0803
H4	1.1064	2.2308	2.4089		1.8145	1.8145
H5	1.1051	2.1861	3.0803	1.8145		1.8003
H6	1.1051	2.1861	3.0803	1.8145	1.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.596	N2	C1	H4	111.302
N2	C1	H5	107.931	N2	C1	H6	107.931
H4	C1	H5	110.260	H4	C1	H6	110.260
H5	C1	H6	109.078

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)