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	hartrees
Energy at 0K	-169.578719
Energy at 298.15K	-169.582451
HF Energy	-168.897028
Nuclear repulsion energy	70.863029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3010	8.24
2	A'	3074	2923	3.09
3	A'	1692	1609	52.62
4	A'	1496	1422	22.99
5	A'	1420	1350	13.70
6	A'	1188	1130	14.31
7	A'	908	863	11.09
8	A'	594	565	2.47
9	A"	3147	2993	3.44
10	A"	1503	1430	10.75
11	A"	1018	968	3.30
12	A"	156	148	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.941	-0.565	0.000
N2	0.000	0.567	0.000
O3	1.149	0.231	0.000
H4	-0.411	-1.513	0.000
H5	-1.570	-0.456	0.881
H6	-1.570	-0.456	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4718	2.2366	1.0866	1.0878	1.0878
N2	1.4718		1.1977	2.1204	2.0702	2.0702
O3	2.2366	1.1977		2.3400	2.9396	2.9396
H4	1.0866	2.1204	2.3400		1.7993	1.7993
H5	1.0878	2.0702	2.9396	1.7993		1.7619
H6	1.0878	2.0702	2.9396	1.7993	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.431	N2	C1	H4	111.058
N2	C1	H5	107.000	N2	C1	H6	107.000
H4	C1	H5	111.691	H4	C1	H6	111.691
H5	C1	H6	108.159

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)