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	hartrees
Energy at 0K	-244.339114
Energy at 298.15K	-244.343873
HF Energy	-243.659648
Nuclear repulsion energy	122.677831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3078	5.30
2	A'	3125	2944	11.26
3	A'	1585	1493	91.29
4	A'	1551	1462	6.34
5	A'	1491	1405	8.83
6	A'	1214	1144	1.44
7	A'	1053	992	154.03
8	A'	886	835	102.65
9	A'	717	676	107.36
10	A'	370	348	2.63
11	A"	3217	3031	15.56
12	A"	1542	1453	8.77
13	A"	1192	1123	1.06
14	A"	378	356	2.41
15	A"	225	212	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.321	0.314	0.000
O2	0.000	0.884	0.000
H3	1.984	1.176	0.000
H4	1.481	-0.298	0.890
H5	1.481	-0.298	-0.890
N6	-1.027	-0.017	0.000
O7	-0.711	-1.177	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4392	1.0871	1.0921	1.0921	2.3716	2.5202
O2	1.4392		2.0054	2.0934	2.0934	1.3661	2.1801
H3	1.0871	2.0054		1.7938	1.7938	3.2386	3.5771
H4	1.0921	2.0934	1.7938		1.7810	2.6759	2.5233
H5	1.0921	2.0934	1.7938	1.7810		2.6759	2.5233
N6	2.3716	1.3661	3.2386	2.6759	2.6759		1.2027
O7	2.5202	2.1801	3.5771	2.5233	2.5233	1.2027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.408	O2	C1	H3	104.217
O2	C1	H4	110.843	O2	C1	H5	110.843
O2	N6	O7	115.993	H3	C1	H4	110.807
H3	C1	H5	110.807	H4	C1	H5	109.261

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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