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	hartrees
Energy at 0K	-244.011746
Energy at 298.15K	-244.016163
HF Energy	-243.516133
Nuclear repulsion energy	117.857368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3093	5.74
2	A'	3082	2949	11.45
3	A'	1558	1491	7.17
4	A'	1495	1430	1.23
5	A'	1329	1272	61.51
6	A'	1171	1121	2.36
7	A'	937	897	117.68
8	A'	778	745	63.70
9	A'	551	527	229.06
10	A'	315	301	0.79
11	A"	3171	3034	24.26
12	A"	1548	1481	10.03
13	A"	1165	1114	1.08
14	A"	334	319	4.66
15	A"	169	162	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.376	0.360	0.000
O2	0.000	0.934	0.000
H3	2.016	1.243	0.000
H4	1.539	-0.250	0.896
H5	1.539	-0.250	-0.896
N6	-1.098	-0.060	0.000
O7	-0.708	-1.244	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4913	1.0904	1.0962	1.0962	2.5102	2.6300
O2	1.4913		2.0393	2.1391	2.1391	1.4817	2.2904
H3	1.0904	2.0393		1.8056	1.8056	3.3759	3.6885
H4	1.0962	2.1391	1.8056		1.7917	2.7924	2.6155
H5	1.0962	2.1391	1.8056	1.7917		2.7924	2.6155
N6	2.5102	1.4817	3.3759	2.7924	2.7924		1.2466
O7	2.6300	2.2904	3.6885	2.6155	2.6155	1.2466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.195	O2	C1	H3	103.252
O2	C1	H4	110.596	O2	C1	H5	110.596
O2	N6	O7	113.898	H3	C1	H4	111.328
H3	C1	H5	111.328	H4	C1	H5	109.618

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

using model chemistry: MP2/6-31G

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 CH3ONO (Methyl nitrite)

using model chemistry: MP2/6-31G

States and conformations

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