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	hartrees
Energy at 0K	-169.356153
Energy at 298.15K	-169.359844
HF Energy	-168.836174
Nuclear repulsion energy	70.002144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3046	9.77
2	A'	3100	2931	3.97
3	A'	1640	1551	56.30
4	A'	1508	1426	23.44
5	A'	1431	1353	14.61
6	A'	1182	1118	15.33
7	A'	894	845	11.60
8	A'	584	552	2.08
9	A"	3201	3026	5.75
10	A"	1508	1425	10.76
11	A"	1006	951	5.31
12	A"	143	135	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.957	-0.563	0.000
N2	0.000	0.577	0.000
O3	1.167	0.218	0.000
H4	-0.429	-1.516	0.000
H5	-1.585	-0.446	0.884
H6	-1.585	-0.446	-0.884

	C1	N2	O3	H4	H5	H6
C1		1.4876	2.2629	1.0893	1.0906	1.0906
N2	1.4876		1.2209	2.1357	2.0826	2.0826
O3	2.2629	1.2209		2.3569	2.9657	2.9657
H4	1.0893	2.1357	2.3569		1.8060	1.8060
H5	1.0906	2.0826	2.9657	1.8060		1.7678
H6	1.0906	2.0826	2.9657	1.8060	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.965	N2	C1	H4	111.006
N2	C1	H5	106.748	N2	C1	H6	106.748
H4	C1	H5	111.889	H4	C1	H6	111.889
H5	C1	H6	108.285

All results from a given calculation for CH₃NO (nitrosomethane)

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

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/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)