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	hartrees
Energy at 0K	-244.427452
Energy at 298.15K	-244.431694
HF Energy	-243.699560
Nuclear repulsion energy	122.336797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3058	8.48
2	A'	3079	2953	39.65
3	A'	1629	1562	161.32
4	A'	1502	1440	6.53
5	A'	1443	1384	3.28
6	A'	1192	1143	32.83
7	A'	1053	1010	52.21
8	A'	800	767	403.84
9	A'	553	531	163.82
10	A'	372	356	14.89
11	A"	3193	3062	15.56
12	A"	1477	1416	4.88
13	A"	1164	1116	0.82
14	A"	224	215	0.89
15	A"	79	75	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	1.318	0.308	0.000
O2	0.000	0.906	0.000
H3	2.000	1.165	0.000
H4	1.461	-0.311	0.898
H5	1.461	-0.311	-0.898
N6	-1.050	-0.031	0.000
O7	-0.685	-1.177	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4471	1.0951	1.0999	1.0999	2.3924	2.4937
O2	1.4471		2.0167	2.1022	2.1022	1.4073	2.1927
H3	1.0951	2.0167		1.8097	1.8097	3.2763	3.5630
H4	1.0999	2.1022	1.8097		1.7959	2.6812	2.4821
H5	1.0999	2.1022	1.8097	1.7959		2.6812	2.4821
N6	2.3924	1.4073	3.2763	2.6812	2.6812		1.2030
O7	2.4937	2.1927	3.5630	2.4821	2.4821	1.2030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	113.879	O2	C1	H3	104.135
O2	C1	H4	110.517	O2	C1	H5	110.517
O2	N6	O7	114.057	H3	C1	H4	111.069
H3	C1	H5	111.069	H4	C1	H5	109.451

All results from a given calculation for CH₃ONO (Methyl nitrite)

using model chemistry: MP2/aug-cc-pVDZ

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 CH3ONO (Methyl nitrite)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃ONO (Methyl nitrite)