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	hartrees
Energy at 0K	-169.344328
Energy at 298.15K	-169.348009
HF Energy	-168.830203
Nuclear repulsion energy	69.990893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3042	11.20
2	A'	3109	2927	3.72
3	A'	1651	1554	43.00
4	A'	1517	1428	16.62
5	A'	1433	1349	10.55
6	A'	1183	1113	13.86
7	A'	886	834	11.84
8	A'	583	549	2.19
9	A"	3208	3020	8.58
10	A"	1521	1431	7.23
11	A"	1005	946	3.13
12	A"	140	132	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.955	-0.563	0.000
N2	0.000	0.582	0.000
O3	1.165	0.216	0.000
H4	-0.422	-1.512	0.000
H5	-1.584	-0.454	0.883
H6	-1.584	-0.454	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4909	2.2589	1.0884	1.0900	1.0900
N2	1.4909		1.2211	2.1355	2.0885	2.0885
O3	2.2589	1.2211		2.3459	2.9645	2.9645
H4	1.0884	2.1355	2.3459		1.8034	1.8034
H5	1.0900	2.0885	2.9645	1.8034		1.7665
H6	1.0900	2.0885	2.9645	1.8034	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.413	N2	C1	H4	110.810
N2	C1	H5	107.010	N2	C1	H6	107.010
H4	C1	H5	111.758	H4	C1	H6	111.758
H5	C1	H6	108.253

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/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/6-31G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)