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	hartrees
Energy at 0K	-48.822804
Energy at 298.15K	-48.827532
HF Energy	-48.179596
Nuclear repulsion energy	68.321247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3085	13.70
2	A'	3102	2945	22.76
3	A'	1557	1478	112.87
4	A'	1515	1438	6.98
5	A'	1466	1392	10.34
6	A'	1199	1138	2.41
7	A'	1036	984	176.60
8	A'	863	820	125.06
9	A'	706	670	112.53
10	A'	356	338	2.18
11	A"	3207	3045	30.51
12	A"	1504	1428	8.05
13	A"	1175	1116	0.67
14	A"	365	346	3.23
15	A"	239	227	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.329	0.316	0.000
O2	0.000	0.909	0.000
H3	1.999	1.186	0.000
H4	1.476	-0.302	0.901
H5	1.476	-0.302	-0.901
N6	-1.058	-0.025	0.000
O7	-0.690	-1.197	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4555	1.0983	1.1027	1.1027	2.4116	2.5225
O2	1.4555		2.0180	2.1113	2.1113	1.4110	2.2153
H3	1.0983	2.0180		1.8169	1.8169	3.2882	3.5926
H4	1.1027	2.1113	1.8169		1.8029	2.7042	2.5108
H5	1.1027	2.1113	1.8169	1.8029		2.7042	2.5108
N6	2.4116	1.4110	3.2882	2.7042	2.7042		1.2284
O7	2.5225	2.2153	3.5926	2.5108	2.5108	1.2284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	114.545	O2	C1	H3	103.527
O2	C1	H4	110.485	O2	C1	H5	110.485
O2	N6	O7	113.959	H3	C1	H4	111.273
H3	C1	H5	111.273	H4	C1	H5	109.676

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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