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	hartrees
Energy at 0K	-244.508183
Energy at 298.15K	-244.512531
HF Energy	-243.722637
Nuclear repulsion energy	123.385235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3029	11.14
2	A'	3094	2930	35.89
3	A'	1670	1581	143.84
4	A'	1553	1471	7.98
5	A'	1500	1421	5.84
6	A'	1231	1166	29.34
7	A'	1103	1045	61.41
8	A'	861	816	427.69
9	A'	602	570	93.30
10	A'	387	367	10.98
11	A"	3202	3033	22.35
12	A"	1527	1446	5.57
13	A"	1201	1137	0.60
14	A"	234	222	0.96
15	A"	89	84	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	1.314	0.313	0.000
O2	0.000	0.888	0.000
H3	1.978	1.172	0.000
H4	1.469	-0.299	0.889
H5	1.469	-0.299	-0.889
N6	-1.038	-0.027	0.000
O7	-0.691	-1.170	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4340	1.0855	1.0908	1.0908	2.3768	2.4942
O2	1.4340		1.9986	2.0874	2.0874	1.3840	2.1708
H3	1.0855	1.9986		1.7927	1.7927	3.2462	3.5512
H4	1.0908	2.0874	1.7927		1.7784	2.6741	2.4931
H5	1.0908	2.0874	1.7927	1.7784		2.6741	2.4931
N6	2.3768	1.3840	3.2462	2.6741	2.6741		1.1942
O7	2.4942	2.1708	3.5512	2.4931	2.4931	1.1942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	114.995	O2	C1	H3	104.127
O2	C1	H4	110.800	O2	C1	H5	110.800
O2	N6	O7	114.499	H3	C1	H4	110.921
H3	C1	H5	110.921	H4	C1	H5	109.209

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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