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	hartrees
Energy at 0K	-169.336042
Energy at 298.15K	-169.339709
HF Energy	-168.823727
Nuclear repulsion energy	69.719564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3174
2	A'	3056	3056
3	A'	1601	1601
4	A'	1499	1499
5	A'	1417	1417
6	A'	1170	1170
7	A'	884	884
8	A'	580	580
9	A"	3146	3146
10	A"	1500	1500
11	A"	997	997
12	A"	140	140

Atom	x (Å)	y (Å)	z (Å)
C1	-0.959	-0.559	0.000
N2	0.000	0.584	0.000
O3	1.170	0.209	0.000
H4	-0.426	-1.516	0.000
H5	-1.592	-0.445	0.889
H6	-1.592	-0.445	-0.889

	C1	N2	O3	H4	H5	H6
C1		1.4914	2.2632	1.0953	1.0973	1.0973
N2	1.4914		1.2290	2.1422	2.0939	2.0939
O3	2.2632	1.2290		2.3498	2.9749	2.9749
H4	1.0953	2.1422	2.3498		1.8153	1.8153
H5	1.0973	2.0939	2.9749	1.8153		1.7774
H6	1.0973	2.0939	2.9749	1.8153	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.236	N2	C1	H4	110.889
N2	C1	H5	106.985	N2	C1	H6	106.985
H4	C1	H5	111.780	H4	C1	H6	111.780
H5	C1	H6	108.175

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/6-31G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)