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	hartrees
Energy at 0K	-244.667491
Energy at 298.15K	-244.672260
HF Energy	-243.758673
Nuclear repulsion energy	123.928222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3069	4.50
2	A'	3109	2951	12.89
3	A'	1599	1518	110.03
4	A'	1523	1446	6.93
5	A'	1463	1389	4.30
6	A'	1200	1139	0.84
7	A'	1052	999	127.19
8	A'	879	834	103.75
9	A'	693	658	158.78
10	A'	369	350	2.15
11	A"	3181	3020	14.83
12	A"	1511	1434	9.87
13	A"	1182	1122	0.99
14	A"	376	357	1.55
15	A"	226	215	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.303	0.296	0.000
O2	0.000	0.883	0.000
H3	1.980	1.137	0.000
H4	1.450	-0.315	0.883
H5	1.450	-0.315	-0.883
N6	-1.016	-0.013	0.000
O7	-0.698	-1.157	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4290	1.0793	1.0840	1.0840	2.3398	2.4732
O2	1.4290		1.9962	2.0780	2.0780	1.3546	2.1556
H3	1.0793	1.9962		1.7799	1.7799	3.2092	3.5261
H4	1.0840	2.0780	1.7799		1.7658	2.6371	2.4708
H5	1.0840	2.0780	1.7799	1.7658		2.6371	2.4708
N6	2.3398	1.3546	3.2092	2.6371	2.6371		1.1868
O7	2.4732	2.1556	3.5261	2.4708	2.4708	1.1868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	114.370	O2	C1	H3	104.613
O2	C1	H4	110.819	O2	C1	H5	110.819
O2	N6	O7	115.871	H3	C1	H4	110.736
H3	C1	H5	110.736	H4	C1	H5	109.074

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

using model chemistry: MP2=FULL/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 CH3ONO (Methyl nitrite)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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