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	hartrees
Energy at 0K	-169.530658
Energy at 298.15K	-169.534371
HF Energy	-168.895978
Nuclear repulsion energy	70.494435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3045	8.47
2	A'	3052	2938	3.20
3	A'	1653	1591	58.07
4	A'	1484	1428	23.59
5	A'	1408	1355	13.51
6	A'	1174	1130	15.32
7	A'	887	853	12.53
8	A'	586	564	2.17
9	A"	3143	3025	3.98
10	A"	1486	1430	10.37
11	A"	999	961	3.38
12	A"	155	149	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.946	-0.569	0.000
N2	0.000	0.571	0.000
O3	1.155	0.232	0.000
H4	-0.413	-1.519	0.000
H5	-1.577	-0.458	0.882
H6	-1.577	-0.458	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4819	2.2488	1.0892	1.0905	1.0905
N2	1.4819		1.2042	2.1309	2.0797	2.0797
O3	2.2488	1.2042		2.3505	2.9529	2.9529
H4	1.0892	2.1309	2.3505		1.8055	1.8055
H5	1.0905	2.0797	2.9529	1.8055		1.7649
H6	1.0905	2.0797	2.9529	1.8055	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.288	N2	C1	H4	111.028
N2	C1	H5	106.901	N2	C1	H6	106.901
H4	C1	H5	111.856	H4	C1	H6	111.856
H5	C1	H6	108.032

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)