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	hartrees
Energy at 0K	-244.345991
Energy at 298.15K	-244.350722
HF Energy	-243.661038
Nuclear repulsion energy	122.682679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3063	8.15
2	A'	3094	2946	13.94
3	A'	1694	1613	123.94
4	A'	1539	1465	7.86
5	A'	1485	1414	4.97
6	A'	1216	1158	0.45
7	A'	1057	1007	138.32
8	A'	883	841	72.93
9	A'	713	679	73.68
10	A'	373	355	3.23
11	A"	3177	3025	19.86
12	A"	1529	1456	7.69
13	A"	1183	1127	1.39
14	A"	357	340	3.29
15	A"	220	209	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.327	0.317	0.000
O2	0.000	0.880	0.000
H3	1.987	1.186	0.000
H4	1.492	-0.294	0.893
H5	1.492	-0.294	-0.893
N6	-1.029	-0.020	0.000
O7	-0.717	-1.175	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4413	1.0906	1.0947	1.0947	2.3798	2.5309
O2	1.4413		2.0104	2.0978	2.0978	1.3662	2.1760
H3	1.0906	2.0104		1.7977	1.7977	3.2475	3.5894
H4	1.0947	2.0978	1.7977		1.7861	2.6882	2.5403
H5	1.0947	2.0978	1.7977	1.7861		2.6882	2.5403
N6	2.3798	1.3662	3.2475	2.6882	2.6882		1.1967
O7	2.5309	2.1760	3.5894	2.5403	2.5403	1.1967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.885	O2	C1	H3	104.270
O2	C1	H4	110.884	O2	C1	H5	110.884
O2	N6	O7	116.059	H3	C1	H4	110.701
H3	C1	H5	110.701	H4	C1	H5	109.332

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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