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	hartrees
Energy at 0K	-169.586951
Energy at 298.15K	-169.590644
HF Energy	-168.892429
Nuclear repulsion energy	70.451637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3020
2	A'	3059	2927
3	A'	1608	1539
4	A'	1475	1412
5	A'	1387	1327
6	A'	1159	1109
7	A'	873	835
8	A'	578	553
9	A"	3134	2999
10	A"	1481	1417
11	A"	980	938
12	A"	152	146

Atom	x (Å)	y (Å)	z (Å)
C1	-0.948	-0.563	0.000
N2	0.000	0.573	0.000
O3	1.158	0.222	0.000
H4	-0.417	-1.512	0.000
H5	-1.578	-0.451	0.879
H6	-1.578	-0.451	-0.879

	C1	N2	O3	H4	H5	H6
C1		1.4802	2.2473	1.0863	1.0877	1.0877
N2	1.4802		1.2096	2.1264	2.0768	2.0768
O3	2.2473	1.2096		2.3426	2.9514	2.9514
H4	1.0863	2.1264	2.3426		1.8014	1.8014
H5	1.0877	2.0768	2.9514	1.8014		1.7586
H6	1.0877	2.0768	2.9514	1.8014	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.947	N2	C1	H4	110.964
N2	C1	H5	106.958	N2	C1	H6	106.958
H4	C1	H5	111.908	H4	C1	H6	111.908
H5	C1	H6	107.878

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)